A0A060WLQ4_ONCMY Loading...

Orthodenticle homeobox 2b

AlphaFold DB (A0A4W5N029), UniProt , Accession A0A060WLQ4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 289 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low50.5Low236 Ų236159.9 Ų159.9100%1.16381%0.808SS**  0124.20-87.8154.117800108.6
2M45.6Very low50.1Low151 Ų151158.6 Ų158.674%0.74481%0.814SS**  trans53.183.2171.3-63.387.6122.500119.9Y4M2-Y4 HydrophobicContact CB-CE2 4.33Å
3S50.7Low50Low121 Ų121158.5 Ų158.585%0.84682%0.816SS**  trans-79.3115.415249.30000109.7L5S3-L5 PolarHBondContact O-N 3.17Å
4Y57.9Low49.3Very low209 Ų209153 Ų15382%0.8282%0.818SS**  trans-74.1117.1176.3-73.2-87.7000111M2 K6M2-Y4 HydrophobicContact CB-CE2 4.33Å; Y4-K6 PolarHBondContact O-N 3.43Å
5L55.6Low49.3Very low146 Ų146154 Ų15476%0.76482%0.822SS**  trans-69.3104.6173-167.969.6000109.2S3 Q7S3-L5 PolarHBondContact O-N 3.17Å; L5-Q7 PolarHBondContact O-N 3.01Å; L5-Q7 VanDerWaalsContact O-N 3.12Å
6K53Low49Very low206 Ų206151.8 Ų151.890%0.89682%0.823SS**  trans-77.895.1175.5-171.4157173.5169.10109.4Y4Y4-K6 PolarHBondContact O-N 3.43Å
7Q45.3Very low48.9Very low131 Ų131151.3 Ų151.361%0.61282%0.818SS**PPolyproline II helixtrans-60.9135.5169.1-69.6-75.6-13.500110.5L5L5-Q7 PolarHBondContact O-N 3.01Å; L5-Q7 VanDerWaalsContact O-N 3.12Å
8P48Very low48.8Very low97 Ų97150.2 Ų150.263%0.6382%0.818SS**PPolyproline II helixtrans-75131.2166.228.9-29.5000109.9Y10P8-Y10 PolarHBondContact O-N 3.08Å
9P54.9Low48.5Very low126 Ų126148.2 Ų148.282%0.81881%0.811SS**PPolyproline II helixtrans-68.9122.6171.327.2-30.6000109.7
10Y45.6Very low48.4Very low209 Ų209146.4 Ų146.482%0.8281%0.81SS**  trans-26.1134.1173.7-64.7-92.3000116.9P8P8-Y10 PolarHBondContact O-N 3.08Å
11T49.2Very low48.5Very low127 Ų127142.5 Ų142.578%0.77980%0.803SS**  trans-57.7130.9151.152.60000110.5
12V45.8Very low48.7Very low144 Ų144137.6 Ų137.687%0.87378%0.779SS**  trans-136.6132.3152.1127.90000109.2
13N48.6Very low48.6Very low157 Ų157137.2 Ų137.284%0.8478%0.78SS**  trans-60.5138.8-170.4-62.1-20.8000113.3
14G40.5Very low48.6Very low82 Ų82138.6 Ų138.685%0.84578%0.777SS**  trans-137.541.4172.100000112.5
15L49.3Very low48.3Very low168 Ų168136 Ų13688%0.8878%0.776SS**  trans-90107.4161.8-68.9170.8000107.2
16S44.7Very low47.8Very low119 Ų119137.3 Ų137.383%0.83278%0.778SS**  trans-117.396161.2-1730000108.3
17L47.2Very low47.9Very low143 Ų143132.6 Ų132.675%0.74977%0.769SS**  trans-81.9127.9161.6-78.1152.3000107.6
18T46.9Very low48.2Very low132 Ų132131.7 Ų131.781%0.8178%0.776SS**  trans37.197.8145.271.50000117.2
19T43Very low48.5Very low111 Ų111132 Ų13268%0.68178%0.776SS**  trans-103.9124.2150.71710000108.7
20S47.9Very low48.3Very low113 Ų113129.7 Ų129.779%0.7978%0.776SS**  trans-77.6125170.3173.20000108.9M22S20-M22 WeakPolarHBondContact O-CE 3.48Å
21G49.7Very low48.8Very low65 Ų65129 Ų12967%0.6777%0.773SS**  trans68.394.9145.500000118.1
22M52.9Low49.2Very low133 Ų133128.5 Ų128.566%0.65577%0.772SS**  trans-166.3122.8150.845.5-63.7-81.600110.9S20S20-M22 WeakPolarHBondContact O-CE 3.48Å
23D43.8Very low50Low143 Ų143126 Ų12677%0.76577%0.766SS**  trans77.293.4153-69.4-73.9000121.9
24L52Low50.8Low150 Ų150124.3 Ų124.379%0.78576%0.762SS**  16.6132.6109.7-79.2155.9000118.1
25L50.5Low51.9Low154 Ų154126.3 Ų126.381%0.80676%0.76SS**  trans9381.8158.6-45.4-173.1000117.8
26H45.7Very low52.7Low173 Ų173129.6 Ų129.680%0.80176%0.761SS**  trans-140.992.4140.4-157.1-108.7000110.6
27P54.3Low53.8Low108 Ų108133.8 Ų133.870%0.70176%0.764SS**  trans-83149.5168.933.1-27.1000109.9
28S51Low55.2Low111 Ų111134.6 Ų134.678%0.77676%0.764SS**  trans82.456.8156.2-171.70000119.1
29V54.8Low57Low104 Ų104137.8 Ų137.863%0.6376%0.761SS**  trans-134.890.3136-167.70000108.1Y31V29-Y31 VanDerWaalsContact C-N 3.26Å; V29-Y31 HydrophobicContact CG1-CD2 3.91Å; V29-Y31 HydrophobicContact CG1-CE2 3.69Å; V29-Y31 PolarHBondContact O-N 2.8Å
30G51.4Low58.9Low78 Ų78143.1 Ų143.180%0.80477%0.769SS**  trans-68.880.3176.800000111.3
31Y55.8Low60.9Low193 Ų193144.5 Ų144.576%0.75776%0.763SS**  trans-67.4126152.5-78-86000106.8V29 A33V29-Y31 VanDerWaalsContact C-N 3.26Å; V29-Y31 HydrophobicContact CG1-CD2 3.91Å; V29-Y31 HydrophobicContact CG1-CE2 3.69Å; V29-Y31 PolarHBondContact O-N 2.8Å; Y31-A33 VanDerWaalsContact C-N 3.3Å; Y31-A33 PolarHBondContact O-N 2.71Å
32P56.9Low63Low118 Ų118151.3 Ų151.377%0.76677%0.768SS**  trans-60.8103.5169.925.4-31000106.3T34P32-T34 PolarHBondContact O-N 2.89Å
33A62.4Low64.9Low91 Ų91146.5 Ų146.575%0.75275%0.747SS**  trans-51.6110.2170.500000105.7Y31Y31-A33 VanDerWaalsContact C-N 3.3Å; Y31-A33 PolarHBondContact O-N 2.71Å
34T65.6Low67.4Low121 Ų121145.8 Ų145.874%0.74275%0.747SS**  trans-43.7122176.751.10000107.2P32 R36P32-T34 PolarHBondContact O-N 2.89Å; T34-R36 PolarHBondContact O-N 2.82Å
35P64.1Low69.6Low124 Ų124141 Ų14181%0.80572%0.72SS**  trans-56.8113-171.319.9-30.9000107.6K37P35-K37 PolarHBondContact O-N 2.68Å
36R65.4Low71.9Confident238 Ų238137.4 Ų137.490%0.89871%0.705SS**  trans-52.1112.3175.6-80.3-166.1-94.1137.1-9.3105.9T34 Q38T34-R36 PolarHBondContact O-N 2.82Å; R36-Q38 PolarHBondContact O-N 3.19Å
37K67.9Low74.3Confident206 Ų206137 Ų13790%0.89670%0.696SS**  trans-46.3100.8-171.1-134159.2-178.9172.40108.8P35 R39P35-K37 PolarHBondContact O-N 2.68Å; K37-R39 PolarHBondContact O-N 2.93Å
38Q77.9Confident76.4Confident160 Ų160134.8 Ų134.875%0.74869%0.687SS**PPolyproline II helixtrans-56.9117.6179.6-177.374.12200106.6R36 R40R36-Q38 PolarHBondContact O-N 3.19Å; Q38-R40 PolarHBondContact O-N 3.32Å
39R84.2Confident78.7Confident199 Ų199131 Ų13175%0.75166%0.657SS**PPolyproline II helixtrans-60.4126.2178.9-179172.9175.2-127.25.3107.6K37 E41K37-R39 PolarHBondContact O-N 2.93Å; R39-E41 PolarHBondContact O-N 2.89Å
40R82.6Confident80.8Confident224 Ų224128.1 Ų128.185%0.84564%0.638SS**PPolyproline II helixtrans-55.9134.2176.7-72.5178.9179.7178.2-1.2109.5Q38 R42Q38-R40 PolarHBondContact O-N 3.32Å; R40-R42 PolarHBondContact O-N 3.4Å
41E90.3Very high83Confident142 Ų142127.8 Ų127.866%0.66462%0.618SS**PPolyproline II helixtrans-56.9137.5179.1-64.2-57.4153.300111.5R39 R81R39-E41 PolarHBondContact O-N 2.89Å; E41-R81 PolarHBondContact O-NH1 3.47Å; E41-R81 PolarHBondContact O-NH2 3.37Å
42R93.2Very high85Confident207 Ų207121 Ų12178%0.78159%0.594SS**PPolyproline II helixtrans-81.2135.7-179.4-171.2177.8-177-179.81.6109.3R40R40-R42 PolarHBondContact O-N 3.4Å
43T94.3Very high87Confident33 Ų33115.4 Ų115.420%0.20256%0.558CS.*PPolyproline II helixtrans-86.5130.4173-57.30000108.7F45 L77 R81T43-F45 HydrophobicContact CG2-CE1 4.4Å; T43-F45 HydrophobicContact CG2-CZ 4.42Å; T43-L77 HydrophobicContact CG2-CD1 4.02Å; T43-L77 HydrophobicContact CG2-CD2 3.71Å; T43-R81 VanDerWaalsContact OG1-CD 3.23Å; T43-R81 WeakPolarHBondContact OG1-CD 3.4Å; T43-R81 PolarHBondContact OG1-NE 2.99Å; T43-R81 PolarHBondContact OG1-NH1 3.49Å
44T95.8Very high88.7Confident127 Ų127114.1 Ų114.178%0.77954%0.536SS*.  trans-104125.1167.5-57.90000107.6
45F97.2Very high90.3Very high50 Ų50111.2 Ų111.222%0.21952%0.524CS..  trans-85.6136.8179.5-60.5-88.1000109.8T43 L50 L53 L77 R81 W85T43-F45 HydrophobicContact CG2-CE1 4.4Å; T43-F45 HydrophobicContact CG2-CZ 4.42Å; F45-L50 HydrophobicContact CB-CD2 3.72Å; F45-L50 HydrophobicContact CB-CG 3.87Å; F45-L50 HydrophobicContact CG-CD2 4.14Å; F45-L53 HydrophobicContact CD1-CD1 3.96Å; F45-L53 HydrophobicContact CE1-CD1 4.03Å; F45-L77 HydrophobicContact CD1-CD1 3.48Å; F45-L77 VanDerWaalsContact CD1-CD1 3.48Å; F45-L77 HydrophobicContact CE1-CD1 3.37Å; F45-L77 HydrophobicContact CZ-CD1 4.49Å; F45-R81 HydrophobicContact CZ-CB 4.4Å; F45-W85 AromaticContact CD2-CD1 3.99Å; F45-W85 HydrophobicContact CE2-CB 4.48Å; F45-W85 AromaticContact CE2-CD1 3.71Å; F45-W85 HydrophobicContact CE2-CG 4.49Å; F45-W85 HydrophobicContact CZ-CB 4Å; F45-W85 AromaticContact CZ-CD1 3.85Å; F45-W85 HydrophobicContact CZ-CG 4.28Å
46T98.3Very high91.9Very high79 Ų79106.1 Ų106.149%0.48549%0.491SS..  trans-75.2164.5169.5750000110.4A48 Q49 L50T46-A48 PolarHBondContact O-N 3Å; T46-Q49 PolarHBondContact O-N 3.45Å; T46-Q49 VanDerWaalsContact OG1-CG 3.26Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.28Å; T46-Q49 PolarHBondContact OG1-N 3.41Å; T46-L50 WeakPolarHBondContact O-CG 3.45Å; T46-L50 PolarHBondContact O-N 3.3Å; T46-L50 VanDerWaalsContact O-N 3.1Å
47R97.9Very high93.4Very high163 Ų16396.1 Ų96.162%0.61545%0.454SS*.Hα-helixtrans-59.7-47.1-179.8-177.564.6-160.1-171.88.7112.3Q49 L50 D51R47-Q49 VanDerWaalsContact C-N 3.28Å; R47-Q49 PolarHBondContact O-N 2.96Å; R47-L50 WeakPolarHBondContact O-CB 3.38Å; R47-L50 PolarHBondContact O-N 2.87Å; R47-D51 IonicContact CZ-OD1 2.74Å; R47-D51 VanDerWaalsContact CZ-OD1 3.29Å; R47-D51 IonicContact NE-OD1 2.83Å; R47-D51 PolarHBondContact NE-OD1 3.06Å; R47-D51 IonicContact NE-OD2 2.87Å; R47-D51 IonicContact NH2-OD1 3.24Å; R47-D51 PolarHBondContact NH2-OD1 2.86Å; R47-D51 PolarHBondContact O-N 3.47Å
48A98.1Very high94.9Very high62 Ų6289.7 Ų89.751%0.51245%0.445SS..Hα-helixtrans-59.6-37.5178.600000112.8T46 D51 I52T46-A48 PolarHBondContact O-N 3Å; A48-D51 PolarHBondContact O-N 3.25Å; A48-I52 WeakPolarHBondContact O-CG1 3.39Å; A48-I52 PolarHBondContact O-N 2.95Å
49Q98.3Very high95.8Very high31 Ų3189.7 Ų89.715%0.14544%0.443CS..Hα-helixtrans-66.2-40.7175.5-64.5174.2-30.500111.5T46 R47 I52 L53 I75T46-Q49 PolarHBondContact O-N 3.45Å; T46-Q49 VanDerWaalsContact OG1-CG 3.26Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.28Å; T46-Q49 PolarHBondContact OG1-N 3.41Å; R47-Q49 VanDerWaalsContact C-N 3.28Å; R47-Q49 PolarHBondContact O-N 2.96Å; Q49-I52 PolarHBondContact O-N 2.78Å; Q49-L53 WeakPolarHBondContact O-CD1 3.44Å; Q49-L53 VanDerWaalsContact O-CG 3.27Å; Q49-L53 WeakPolarHBondContact O-CG 3.45Å; Q49-L53 PolarHBondContact O-N 2.74Å; Q49-L53 VanDerWaalsContact O-N 3.09Å; Q49-I75 HydrophobicContact CB-CB 4.32Å; Q49-I75 HydrophobicContact CB-CG2 4.35Å; Q49-I75 HydrophobicContact CG-CB 3.95Å; Q49-I75 HydrophobicContact CG-CG2 4.32Å; Q49-I75 PolarHBondContact NE2-O 3.02Å
50L98.5Very high96.4Very high44 Ų4482.1 Ų82.123%0.2342%0.419CS..Hα-helixtrans-63.4-41.6175.5-67.7174.1000111.6F45 T46 R47 I52 L53 E54 W85F45-L50 HydrophobicContact CB-CD2 3.72Å; F45-L50 HydrophobicContact CB-CG 3.87Å; F45-L50 HydrophobicContact CG-CD2 4.14Å; T46-L50 WeakPolarHBondContact O-CG 3.45Å; T46-L50 PolarHBondContact O-N 3.3Å; T46-L50 VanDerWaalsContact O-N 3.1Å; R47-L50 WeakPolarHBondContact O-CB 3.38Å; R47-L50 PolarHBondContact O-N 2.87Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.27Å; L50-L53 PolarHBondContact O-N 2.77Å; L50-E54 WeakPolarHBondContact O-CB 3.41Å; L50-E54 WeakPolarHBondContact O-CG 3.44Å; L50-E54 PolarHBondContact O-N 3.1Å; L50-W85 HydrophobicContact CD2-CZ2 4.34Å
51D98.4Very high97.1Very high71 Ų7178.6 Ų78.638%0.3841%0.406SS..Hα-helixtrans-62-39.9180-62-35.7000111.2R47 A48 E54 A55R47-D51 IonicContact CZ-OD1 2.74Å; R47-D51 VanDerWaalsContact CZ-OD1 3.29Å; R47-D51 IonicContact NE-OD1 2.83Å; R47-D51 PolarHBondContact NE-OD1 3.06Å; R47-D51 IonicContact NE-OD2 2.87Å; R47-D51 IonicContact NH2-OD1 3.24Å; R47-D51 PolarHBondContact NH2-OD1 2.86Å; R47-D51 PolarHBondContact O-N 3.47Å; A48-D51 PolarHBondContact O-N 3.25Å; D51-E54 PolarHBondContact O-N 3.46Å; D51-A55 VanDerWaalsContact O-CB 3.28Å; D51-A55 WeakPolarHBondContact O-CB 3.48Å; D51-A55 PolarHBondContact O-N 2.92Å
52I98.2Very high97.5Very high52 Ų5278.8 Ų78.827%0.26740%0.401SS..Hα-helixtrans-64.1-45.5174-64.7164.4000111.3A48 Q49 L50 A55 L56 V71 K74 I75A48-I52 WeakPolarHBondContact O-CG1 3.39Å; A48-I52 PolarHBondContact O-N 2.95Å; Q49-I52 PolarHBondContact O-N 2.78Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.27Å; I52-A55 PolarHBondContact O-N 3.46Å; I52-L56 PolarHBondContact O-N 3.47Å; I52-V71 HydrophobicContact CG2-CG1 4.04Å; I52-K74 HydrophobicContact CD1-CG 4.47Å; I52-K74 HydrophobicContact CG2-CD 4.42Å; I52-I75 HydrophobicContact CB-CG2 4.22Å; I52-I75 HydrophobicContact CD1-CG2 3.79Å; I52-I75 HydrophobicContact CG2-CG2 4.11Å
53L98.5Very high97.7Very high0 Ų069.3 Ų69.30%037%0.366CS..Hα-helixtrans-64.5-40.4179.2-71.8166.3000111.9F45 Q49 L50 L56 F57 V71 I75 V82 W85 F86F45-L53 HydrophobicContact CD1-CD1 3.96Å; F45-L53 HydrophobicContact CE1-CD1 4.03Å; Q49-L53 WeakPolarHBondContact O-CD1 3.44Å; Q49-L53 VanDerWaalsContact O-CG 3.27Å; Q49-L53 WeakPolarHBondContact O-CG 3.45Å; Q49-L53 PolarHBondContact O-N 2.74Å; Q49-L53 VanDerWaalsContact O-N 3.09Å; L50-L53 PolarHBondContact O-N 2.77Å; L53-L56 PolarHBondContact O-N 3.35Å; L53-F57 WeakPolarHBondContact O-CB 3.4Å; L53-F57 PolarHBondContact O-N 2.94Å; L53-V71 HydrophobicContact CD2-CG1 3.86Å; L53-I75 HydrophobicContact CD1-CD1 4.04Å; L53-I75 HydrophobicContact CD2-CD1 4.07Å; L53-I75 HydrophobicContact CG-CD1 4.1Å; L53-V82 HydrophobicContact CD2-CG1 3.85Å; L53-V82 HydrophobicContact CD2-CG2 4.34Å; L53-W85 HydrophobicContact CB-CD2 4.06Å; L53-W85 HydrophobicContact CB-CE3 3.95Å; L53-W85 HydrophobicContact CB-CH2 3.64Å; L53-W85 HydrophobicContact CB-CZ2 3.73Å; L53-W85 HydrophobicContact CB-CZ3 3.75Å; L53-W85 HydrophobicContact CD1-CD2 3.89Å; L53-W85 HydrophobicContact CD1-CE3 4.44Å; L53-W85 HydrophobicContact CD1-CG 3.93Å; L53-W85 HydrophobicContact CD2-CD2 4.47Å; L53-W85 HydrophobicContact CD2-CE3 4.26Å; L53-W85 HydrophobicContact CG-CD2 4.38Å; L53-W85 HydrophobicContact CG-CE3 4.46Å; L53-F86 HydrophobicContact CD2-CE2 3.93Å
54E98.3Very high97.9Very high63 Ų6372 Ų7229%0.29438%0.38SS..Hα-helixtrans-69.1-39.7176.6-71.8-170.7158.200111.7L50 D51 L56 F57 G58 W85 R89L50-E54 WeakPolarHBondContact O-CB 3.41Å; L50-E54 WeakPolarHBondContact O-CG 3.44Å; L50-E54 PolarHBondContact O-N 3.1Å; D51-E54 PolarHBondContact O-N 3.46Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 3.11Å; E54-F57 WeakPolarHBondContact O-CB 3.32Å; E54-F57 PolarHBondContact O-N 3.19Å; E54-G58 PolarHBondContact O-N 2.93Å; E54-W85 HydrophobicContact CG-CH2 3.85Å; E54-W85 HydrophobicContact CG-CZ2 3.86Å; E54-R89 IonicContact OE1-CZ 3.29Å; E54-R89 IonicContact OE1-NH1 3.7Å; E54-R89 PolarHBondContact OE1-NH1 3.3Å; E54-R89 IonicContact OE1-NH2 3Å; E54-R89 PolarHBondContact OE1-NH2 3.41Å
55A98.2Very high98Very high60 Ų6068.6 Ų68.650%0.49636%0.356SS..Hα-helixtrans-60.7-42.3173.400000111.9D51 I52 G58 K59D51-A55 VanDerWaalsContact O-CB 3.28Å; D51-A55 WeakPolarHBondContact O-CB 3.48Å; D51-A55 PolarHBondContact O-N 2.92Å; I52-A55 PolarHBondContact O-N 3.46Å; A55-G58 PolarHBondContact O-N 3.03Å; A55-K59 PolarHBondContact O-N 3.46Å
56L98Very high98.1Very high18 Ų1873.2 Ų73.29%0.09438%0.376CS..Hα-helixtrans-66.9-40.2174.2-17563.2000111.7I52 L53 E54 G58 K59 T60 P63 M67 V71 F86I52-L56 PolarHBondContact O-N 3.47Å; L53-L56 PolarHBondContact O-N 3.35Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 3.11Å; L56-G58 VanDerWaalsContact C-N 3.26Å; L56-G58 PolarHBondContact O-N 3.44Å; L56-K59 WeakPolarHBondContact O-CB 3.37Å; L56-K59 PolarHBondContact O-N 3.43Å; L56-T60 PolarHBondContact O-N 3.47Å; L56-P63 HydrophobicContact CD2-CB 4.13Å; L56-M67 HydrophobicContact CD1-CE 3.7Å; L56-V71 HydrophobicContact CD2-CB 4.44Å; L56-V71 HydrophobicContact CD2-CG2 3.63Å; L56-F86 HydrophobicContact CB-CZ 4.15Å; L56-F86 HydrophobicContact CD2-CE2 4.23Å; L56-F86 HydrophobicContact CD2-CZ 3.8Å; L56-F86 HydrophobicContact CG-CZ 3.98Å
57F98.2Very high98.1Very high28 Ų2872.7 Ų72.712%0.12337%0.369CS..Hα-helixtrans-61-35177.2-172.4-90.8000112.9L53 E54 K59 T60 R61 W85 F86 R89 R90L53-F57 WeakPolarHBondContact O-CB 3.4Å; L53-F57 PolarHBondContact O-N 2.94Å; E54-F57 WeakPolarHBondContact O-CB 3.32Å; E54-F57 PolarHBondContact O-N 3.19Å; F57-K59 VanDerWaalsContact C-N 3.28Å; F57-K59 PolarHBondContact O-N 2.75Å; F57-T60 WeakPolarHBondContact CA-O 3.4Å; F57-T60 CarbonylContact O-C 3.37Å; F57-R61 HydrophobicContact CE1-CG 3.93Å; F57-R61 HydrophobicContact CE2-CB 3.94Å; F57-R61 HydrophobicContact CE2-CG 4Å; F57-R61 HydrophobicContact CZ-CB 4.07Å; F57-R61 HydrophobicContact CZ-CG 3.65Å; F57-W85 HydrophobicContact CB-CH2 4.42Å; F57-W85 HydrophobicContact CB-CZ3 4.29Å; F57-W85 HydrophobicContact CD2-CZ3 4.45Å; F57-F86 HydrophobicContact CB-CE1 3.99Å; F57-F86 AromaticContact CD2-CD1 3.79Å; F57-F86 HydrophobicContact CD2-CD1 3.79Å; F57-F86 AromaticContact CD2-CE1 3.75Å; F57-F86 HydrophobicContact CD2-CE1 3.75Å; F57-F86 HydrophobicContact CE2-CD1 4.49Å; F57-F86 HydrophobicContact CG-CE1 4.37Å; F57-R89 HydrophobicContact CD1-CG 4.28Å; F57-R89 HydrophobicContact CD2-CB 4.3Å; F57-R89 HydrophobicContact CD2-CG 3.7Å; F57-R89 HydrophobicContact CE1-CG 4.17Å; F57-R89 HydrophobicContact CE2-CB 4.1Å; F57-R89 HydrophobicContact CE2-CG 3.58Å; F57-R89 HydrophobicContact CG-CG 4.06Å; F57-R89 HydrophobicContact CZ-CG 3.83Å; F57-R90 HydrophobicContact CE2-CG 3.88Å; F57-R90 HydrophobicContact CZ-CG 4.39Å
58G98Very high98.1Very high70 Ų7067 Ų6772%0.72235%0.348SS*.Hα-helixtrans-61.7-34.6172.800000112.9E54 A55 L56E54-G58 PolarHBondContact O-N 2.93Å; A55-G58 PolarHBondContact O-N 3.03Å; L56-G58 VanDerWaalsContact C-N 3.26Å; L56-G58 PolarHBondContact O-N 3.44Å
59K97.3Very high98.1Very high160 Ų16068.1 Ų68.170%0.69634%0.342SS*.Hα-helixtrans-76.8-47.5175.4-62.9175.1-178.5172.40112.1A55 L56 F57A55-K59 PolarHBondContact O-N 3.46Å; L56-K59 WeakPolarHBondContact O-CB 3.37Å; L56-K59 PolarHBondContact O-N 3.43Å; F57-K59 VanDerWaalsContact C-N 3.28Å; F57-K59 PolarHBondContact O-N 2.75Å
60T97.6Very high98.1Very high41 Ų4173.1 Ų73.125%0.25237%0.366SS..  trans-147.9132.6177177.90000111.8L56 F57 Y62 P63 M67L56-T60 PolarHBondContact O-N 3.47Å; F57-T60 WeakPolarHBondContact CA-O 3.4Å; F57-T60 CarbonylContact O-C 3.37Å; T60-Y62 VanDerWaalsContact C-N 3.26Å; T60-Y62 PolarHBondContact O-N 3.09Å; T60-Y62 PolarHBondContact OG1-N 3.18Å; T60-Y62 VanDerWaalsContact OG1-N 3.14Å; T60-Y62 PolarHBondContact OG1-O 3.03Å; T60-P63 HydrophobicContact CG2-CB 4.05Å; T60-M67 HydrophobicContact CG2-CE 3.5Å; T60-M67 HydrophobicContact CG2-SD 4.31Å
61R97.3Very high98.1Very high150 Ų15071.6 Ų71.657%0.56636%0.359SS*.SBendtrans-76.2-16.7174.1-58.1-171.2-126.3103.7-0.1112.4F57 R90F57-R61 HydrophobicContact CE1-CG 3.93Å; F57-R61 HydrophobicContact CE2-CB 3.94Å; F57-R61 HydrophobicContact CE2-CG 4Å; F57-R61 HydrophobicContact CZ-CB 4.07Å; F57-R61 HydrophobicContact CZ-CG 3.65Å; R61-R90 WeakPolarHBondContact O-CD 3.27Å; R61-R90 PolarHBondContact O-NH1 2.79Å
62Y98.2Very high98.1Very high146 Ų14668.5 Ų68.557%0.57334%0.342SS*.SBendtrans-130.674.5-176.9-64.2-92.6000109.7T60 R90T60-Y62 VanDerWaalsContact C-N 3.26Å; T60-Y62 PolarHBondContact O-N 3.09Å; T60-Y62 PolarHBondContact OG1-N 3.18Å; T60-Y62 VanDerWaalsContact OG1-N 3.14Å; T60-Y62 PolarHBondContact OG1-O 3.03Å; Y62-R90 VanDerWaalsContact CE1-CD 3.42Å; Y62-R90 VanDerWaalsContact CE1-NE 3.28Å
63P97.7Very high98.1Very high7 Ų772.5 Ų72.55%0.04536%0.364CS..  trans-67.6140.4177.829-36.3000111L56 T60 M67 R68 F86L56-P63 HydrophobicContact CD2-CB 4.13Å; T60-P63 HydrophobicContact CG2-CB 4.05Å; P63-M67 HydrophobicContact CB-CB 4.02Å; P63-M67 HydrophobicContact CB-CE 4.46Å; P63-M67 HydrophobicContact CB-SD 4.44Å; P63-R68 HydrophobicContact CB-CG 3.95Å; P63-R68 HydrophobicContact CG-CG 3.72Å; P63-R68 PolarHBondContact O-NH1 3.12Å; P63-F86 VanDerWaalsContact CD-CD1 3.46Å; P63-F86 HydrophobicContact CG-CD1 3.65Å; P63-F86 HydrophobicContact CG-CD2 3.98Å; P63-F86 HydrophobicContact CG-CE1 3.57Å; P63-F86 HydrophobicContact CG-CE2 3.92Å; P63-F86 HydrophobicContact CG-CG 3.87Å; P63-F86 HydrophobicContact CG-CZ 3.73Å
64D98.4Very high98.1Very high90 Ų9079.2 Ų79.248%0.48139%0.393SS..  trans-69.1167.2174.6-169.421000112F66 M67 R68D64-F66 VanDerWaalsContact C-N 3.32Å; D64-F66 PolarHBondContact O-N 3.39Å; D64-M67 HydrophobicContact CB-CG 4.48Å; D64-M67 HydrophobicContact CB-SD 4.42Å; D64-M67 PolarHBondContact O-N 3.1Å; D64-R68 WeakPolarHBondContact O-CG 3.49Å; D64-R68 PolarHBondContact O-N 3.14Å
65I98Very high98.1Very high56 Ų5676.5 Ų76.529%0.28738%0.38SS..Hα-helixtrans-51.8-49.5179.6-174.959.5000111.6M67 R68 E69 E79I65-M67 PolarHBondContact O-N 3.48Å; I65-R68 PolarHBondContact O-N 2.9Å; I65-R68 VanDerWaalsContact O-N 3.11Å; I65-E69 HydrophobicContact CD1-CG 4.28Å; I65-E69 HydrophobicContact CG1-CG 4.44Å; I65-E69 WeakPolarHBondContact O-CG 3.45Å; I65-E69 PolarHBondContact O-N 3.04Å; I65-E79 HydrophobicContact CD1-CG 4.09Å; I65-E79 WeakPolarHBondContact CD1-OE1 3.48Å
66F98.4Very high98Very high146 Ų14680.5 Ų80.564%0.6439%0.393SS*.Hα-helixtrans-62.6-41.8-178.9-59.1-66.4000112.5D64 R68 E69 E70D64-F66 VanDerWaalsContact C-N 3.32Å; D64-F66 PolarHBondContact O-N 3.39Å; F66-R68 VanDerWaalsContact C-N 3.29Å; F66-R68 PolarHBondContact O-N 3.47Å; F66-E69 PolarHBondContact O-N 2.89Å; F66-E70 PolarHBondContact O-N 3.46Å
67M98.2Very high98Very high68 Ų6881.1 Ų81.134%0.33540%0.397SS..Hα-helixtrans-64.5-35.9177-61.8176.268.800111.9L56 T60 P63 D64 I65 V71L56-M67 HydrophobicContact CD1-CE 3.7Å; T60-M67 HydrophobicContact CG2-CE 3.5Å; T60-M67 HydrophobicContact CG2-SD 4.31Å; P63-M67 HydrophobicContact CB-CB 4.02Å; P63-M67 HydrophobicContact CB-CE 4.46Å; P63-M67 HydrophobicContact CB-SD 4.44Å; D64-M67 HydrophobicContact CB-CG 4.48Å; D64-M67 HydrophobicContact CB-SD 4.42Å; D64-M67 PolarHBondContact O-N 3.1Å; I65-M67 PolarHBondContact O-N 3.48Å; M67-V71 PolarHBondContact O-N 2.75Å
68R98.6Very high98Very high43 Ų4383.4 Ų83.416%0.16242%0.415CS..Hα-helixtrans-71.4-41176.5-66.9-165.6-52.6-86.1-2.2111.3P63 D64 I65 F66 V71 A72 E79 V82P63-R68 HydrophobicContact CB-CG 3.95Å; P63-R68 HydrophobicContact CG-CG 3.72Å; P63-R68 PolarHBondContact O-NH1 3.12Å; D64-R68 WeakPolarHBondContact O-CG 3.49Å; D64-R68 PolarHBondContact O-N 3.14Å; I65-R68 PolarHBondContact O-N 2.9Å; I65-R68 VanDerWaalsContact O-N 3.11Å; F66-R68 VanDerWaalsContact C-N 3.29Å; F66-R68 PolarHBondContact O-N 3.47Å; R68-V71 PolarHBondContact O-N 3.12Å; R68-A72 WeakPolarHBondContact O-CB 3.47Å; R68-A72 PolarHBondContact O-N 3.28Å; R68-E79 HydrophobicContact CB-CG 4.04Å; R68-E79 IonicContact CZ-OE1 3.36Å; R68-E79 VanDerWaalsContact CZ-OE1 3.24Å; R68-E79 IonicContact NE-OE1 3.43Å; R68-E79 PolarHBondContact NE-OE1 3.23Å; R68-E79 IonicContact NH2-OE1 2.75Å; R68-E79 PolarHBondContact NH2-OE1 3.38Å; R68-V82 HydrophobicContact CB-CG1 4.15Å; R68-V82 HydrophobicContact CG-CG1 4.15Å
69E98.6Very high98Very high86 Ų8682.3 Ų82.340%0.40239%0.39SS..Hα-helixtrans-61.8-45176.3-72.5177.3161.500111.7I65 F66 V71 A72 L73 E79I65-E69 HydrophobicContact CD1-CG 4.28Å; I65-E69 HydrophobicContact CG1-CG 4.44Å; I65-E69 WeakPolarHBondContact O-CG 3.45Å; I65-E69 PolarHBondContact O-N 3.04Å; F66-E69 PolarHBondContact O-N 2.89Å; E69-V71 PolarHBondContact O-N 3.31Å; E69-A72 WeakPolarHBondContact O-CB 3.26Å; E69-A72 PolarHBondContact O-N 2.98Å; E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.35Å; E69-E79 HydrophobicContact CG-CB 4.44Å; E69-E79 HydrophobicContact CG-CG 4.03Å
70E98.2Very high98Very high136 Ų13677.3 Ų77.364%0.63638%0.376SS*.Hα-helixtrans-57.6-48176.6-170.5-166.315300111.6F66 L73 K74F66-E70 PolarHBondContact O-N 3.46Å; E70-L73 PolarHBondContact O-N 3.47Å; E70-K74 WeakPolarHBondContact O-CB 3.42Å; E70-K74 PolarHBondContact O-N 3.04Å
71V98.3Very high98Very high13 Ų1378.4 Ų78.48%0.07938%0.375CS..Hα-helixtrans-68.5-38.5177.7170.60000111.8I52 L53 L56 M67 R68 E69 L73 K74 I75I52-V71 HydrophobicContact CG2-CG1 4.04Å; L53-V71 HydrophobicContact CD2-CG1 3.86Å; L56-V71 HydrophobicContact CD2-CB 4.44Å; L56-V71 HydrophobicContact CD2-CG2 3.63Å; M67-V71 PolarHBondContact O-N 2.75Å; R68-V71 PolarHBondContact O-N 3.12Å; E69-V71 PolarHBondContact O-N 3.31Å; V71-L73 VanDerWaalsContact C-N 3.32Å; V71-L73 PolarHBondContact O-N 3.3Å; V71-K74 WeakPolarHBondContact O-CB 3.39Å; V71-K74 PolarHBondContact O-N 3.47Å; V71-K74 VanDerWaalsContact O-N 3.14Å; V71-I75 HydrophobicContact CG1-CD1 4.14Å; V71-I75 HydrophobicContact CG1-CG2 4.27Å; V71-I75 VanDerWaalsContact O-CG1 3.3Å; V71-I75 WeakPolarHBondContact O-CG1 3.47Å; V71-I75 PolarHBondContact O-N 3.37Å
72A98.4Very high98.1Very high5 Ų571.3 Ų71.34%0.04135%0.348CS..Hα-helixtrans-57.6-45.9177.700000111.4R68 E69 I75 N76 L77 E79 V82R68-A72 WeakPolarHBondContact O-CB 3.47Å; R68-A72 PolarHBondContact O-N 3.28Å; E69-A72 WeakPolarHBondContact O-CB 3.26Å; E69-A72 PolarHBondContact O-N 2.98Å; A72-I75 PolarHBondContact O-N 2.95Å; A72-N76 PolarHBondContact O-N 2.91Å; A72-L77 CarbonylContact C-O 3.45Å; A72-L77 VanDerWaalsContact CB-O 3.31Å; A72-L77 WeakPolarHBondContact CB-O 2.96Å; A72-L77 PolarHBondContact O-N 3.48Å; A72-L77 VanDerWaalsContact O-O 3.1Å; A72-E79 HydrophobicContact CB-CB 4.25Å; A72-V82 HydrophobicContact CB-CG2 3.9Å
73L98.4Very high98.1Very high137 Ų13768.3 Ų68.372%0.71734%0.34SS*.Hα-helixtrans-60.8-48.3172.5-68.3173000111.1E69 E70 V71 I75 N76E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.35Å; E70-L73 PolarHBondContact O-N 3.47Å; V71-L73 VanDerWaalsContact C-N 3.32Å; V71-L73 PolarHBondContact O-N 3.3Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 PolarHBondContact O-N 2.89Å; L73-N76 PolarHBondContact O-N 3.05Å; L73-N76 VanDerWaalsContact O-N 3.17Å
74K97.7Very high98.1Very high140 Ų14071.3 Ų71.361%0.60936%0.358SS*.Hα-helixtrans-58.9-37.6-179.4-173170-175.81640113.6I52 E70 V71I52-K74 HydrophobicContact CD1-CG 4.47Å; I52-K74 HydrophobicContact CG2-CD 4.42Å; E70-K74 WeakPolarHBondContact O-CB 3.42Å; E70-K74 PolarHBondContact O-N 3.04Å; V71-K74 WeakPolarHBondContact O-CB 3.39Å; V71-K74 PolarHBondContact O-N 3.47Å; V71-K74 VanDerWaalsContact O-N 3.14Å
75I97.7Very high98.1Very high6 Ų668.2 Ų68.23%0.03134%0.339CS..THydrogen-bonded Turntrans-97.24-178.873.2-177000113.7Q49 I52 L53 V71 A72 L73 L77 V82Q49-I75 HydrophobicContact CB-CB 4.32Å; Q49-I75 HydrophobicContact CB-CG2 4.35Å; Q49-I75 HydrophobicContact CG-CB 3.95Å; Q49-I75 HydrophobicContact CG-CG2 4.32Å; Q49-I75 PolarHBondContact NE2-O 3.02Å; I52-I75 HydrophobicContact CB-CG2 4.22Å; I52-I75 HydrophobicContact CD1-CG2 3.79Å; I52-I75 HydrophobicContact CG2-CG2 4.11Å; L53-I75 HydrophobicContact CD1-CD1 4.04Å; L53-I75 HydrophobicContact CD2-CD1 4.07Å; L53-I75 HydrophobicContact CG-CD1 4.1Å; V71-I75 HydrophobicContact CG1-CD1 4.14Å; V71-I75 HydrophobicContact CG1-CG2 4.27Å; V71-I75 VanDerWaalsContact O-CG1 3.3Å; V71-I75 WeakPolarHBondContact O-CG1 3.47Å; V71-I75 PolarHBondContact O-N 3.37Å; A72-I75 PolarHBondContact O-N 2.95Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 PolarHBondContact O-N 2.89Å; I75-L77 HydrophobicContact CD1-CB 4.37Å; I75-L77 HydrophobicContact CD1-CD1 3.84Å; I75-L77 HydrophobicContact CD1-CG 4.38Å; I75-L77 HydrophobicContact CG1-CB 4Å; I75-L77 HydrophobicContact CG1-CD1 4.02Å; I75-L77 HydrophobicContact CG1-CG 4.03Å; I75-L77 PolarHBondContact O-N 2.86Å; I75-V82 HydrophobicContact CD1-CG2 3.99Å
76N97.9Very high98.1Very high144 Ų14465.7 Ų65.777%0.7733%0.326SS*.THydrogen-bonded Turntrans5347.3-177.5-69.7-82.9000113.4A72 L73A72-N76 PolarHBondContact O-N 2.91Å; L73-N76 PolarHBondContact O-N 3.05Å; L73-N76 VanDerWaalsContact O-N 3.17Å
77L97.2Very high98.1Very high31 Ų3164.2 Ų64.216%0.16232%0.319CS..SBendtrans-129.1155.6175.2-65.9177.8000110.6T43 F45 A72 I75 R81T43-L77 HydrophobicContact CG2-CD1 4.02Å; T43-L77 HydrophobicContact CG2-CD2 3.71Å; F45-L77 HydrophobicContact CD1-CD1 3.48Å; F45-L77 VanDerWaalsContact CD1-CD1 3.48Å; F45-L77 HydrophobicContact CE1-CD1 3.37Å; F45-L77 HydrophobicContact CZ-CD1 4.49Å; A72-L77 CarbonylContact C-O 3.45Å; A72-L77 VanDerWaalsContact CB-O 3.31Å; A72-L77 WeakPolarHBondContact CB-O 2.96Å; A72-L77 PolarHBondContact O-N 3.48Å; A72-L77 VanDerWaalsContact O-O 3.1Å; I75-L77 HydrophobicContact CD1-CB 4.37Å; I75-L77 HydrophobicContact CD1-CD1 3.84Å; I75-L77 HydrophobicContact CD1-CG 4.38Å; I75-L77 HydrophobicContact CG1-CB 4Å; I75-L77 HydrophobicContact CG1-CD1 4.02Å; I75-L77 HydrophobicContact CG1-CG 4.03Å; I75-L77 PolarHBondContact O-N 2.86Å; L77-R81 HydrophobicContact CB-CB 4.47Å
78P97.8Very high98.1Very high77 Ų7765.8 Ų65.850%0.533%0.329SS..  trans-61.1143.1171.4-21.732.3000111.8S80 R81P78-S80 PolarHBondContact O-N 3.06Å; P78-S80 VanDerWaalsContact O-N 3.13Å; P78-R81 HydrophobicContact CB-CG 4.3Å; P78-R81 HydrophobicContact CG-CG 4.26Å; P78-R81 WeakPolarHBondContact O-CB 3.33Å; P78-R81 PolarHBondContact O-N 3.34Å
79E98.1Very high98.1Very high46 Ų4667.7 Ų67.722%0.21534%0.337CS..Hα-helixtrans-49.8-41.1175.7-179.7-81.3164.600111.8I65 R68 E69 A72 R81 V82 Q83I65-E79 HydrophobicContact CD1-CG 4.09Å; I65-E79 WeakPolarHBondContact CD1-OE1 3.48Å; R68-E79 HydrophobicContact CB-CG 4.04Å; R68-E79 IonicContact CZ-OE1 3.36Å; R68-E79 VanDerWaalsContact CZ-OE1 3.24Å; R68-E79 IonicContact NE-OE1 3.43Å; R68-E79 PolarHBondContact NE-OE1 3.23Å; R68-E79 IonicContact NH2-OE1 2.75Å; R68-E79 PolarHBondContact NH2-OE1 3.38Å; E69-E79 HydrophobicContact CG-CB 4.44Å; E69-E79 HydrophobicContact CG-CG 4.03Å; A72-E79 HydrophobicContact CB-CB 4.25Å; E79-R81 PolarHBondContact O-N 3.36Å; E79-R81 VanDerWaalsContact O-N 3.13Å; E79-V82 CarbonylContact O-C 3.58Å; E79-V82 WeakPolarHBondContact O-CA 3.35Å; E79-V82 VanDerWaalsContact O-CB 3.31Å; E79-V82 WeakPolarHBondContact O-CB 3.36Å; E79-V82 PolarHBondContact O-N 2.93Å; E79-Q83 PolarHBondContact O-N 3.28Å
80S97.6Very high98Very high55 Ų5565.8 Ų65.839%0.38533%0.326SS..Hα-helixtrans-56.8-31.9177.762.70000113.6P78 V84P78-S80 PolarHBondContact O-N 3.06Å; P78-S80 VanDerWaalsContact O-N 3.13Å; S80-V84 VanDerWaalsContact O-CG2 3.27Å; S80-V84 WeakPolarHBondContact O-CG2 3.44Å; S80-V84 PolarHBondContact O-N 3.38Å
81R97.9Very high98Very high65 Ų6560.6 Ų60.625%0.24531%0.306CS..Hα-helixtrans-71.7-38.4176.1-61.2-61.6172.3138.7-6.1111E41 T43 F45 L77 P78 E79 W85E41-R81 PolarHBondContact O-NH1 3.47Å; E41-R81 PolarHBondContact O-NH2 3.37Å; T43-R81 VanDerWaalsContact OG1-CD 3.23Å; T43-R81 WeakPolarHBondContact OG1-CD 3.4Å; T43-R81 PolarHBondContact OG1-NE 2.99Å; T43-R81 PolarHBondContact OG1-NH1 3.49Å; F45-R81 HydrophobicContact CZ-CB 4.4Å; L77-R81 HydrophobicContact CB-CB 4.47Å; P78-R81 HydrophobicContact CB-CG 4.3Å; P78-R81 HydrophobicContact CG-CG 4.26Å; P78-R81 WeakPolarHBondContact O-CB 3.33Å; P78-R81 PolarHBondContact O-N 3.34Å; E79-R81 PolarHBondContact O-N 3.36Å; E79-R81 VanDerWaalsContact O-N 3.13Å; R81-W85 WeakPolarHBondContact O-CB 3.43Å; R81-W85 PolarHBondContact O-N 3.42Å
82V98.1Very high97.9Very high0 Ų066.1 Ų66.10%033%0.329CS..Hα-helixtrans-62.9-48.3172-179.40000109.9L53 R68 A72 I75 E79 V84 W85 F86L53-V82 HydrophobicContact CD2-CG1 3.85Å; L53-V82 HydrophobicContact CD2-CG2 4.34Å; R68-V82 HydrophobicContact CB-CG1 4.15Å; R68-V82 HydrophobicContact CG-CG1 4.15Å; A72-V82 HydrophobicContact CB-CG2 3.9Å; I75-V82 HydrophobicContact CD1-CG2 3.99Å; E79-V82 CarbonylContact O-C 3.58Å; E79-V82 WeakPolarHBondContact O-CA 3.35Å; E79-V82 VanDerWaalsContact O-CB 3.31Å; E79-V82 WeakPolarHBondContact O-CB 3.36Å; E79-V82 PolarHBondContact O-N 2.93Å; V82-V84 PolarHBondContact O-N 3.1Å; V82-W85 WeakPolarHBondContact O-CB 3.15Å; V82-W85 PolarHBondContact O-N 3.1Å; V82-W85 VanDerWaalsContact O-N 3.13Å; V82-F86 HydrophobicContact CG1-CD2 3.72Å; V82-F86 HydrophobicContact CG1-CE2 3.71Å; V82-F86 WeakPolarHBondContact O-CD2 3.31Å; V82-F86 PolarHBondContact O-N 3.14Å
83Q98.3Very high97.7Very high84 Ų8468.5 Ų68.539%0.39335%0.345SS..Hα-helixtrans-55.5-49.1177.2-171-165.56.300112.2E79 W85 F86 K87E79-Q83 PolarHBondContact O-N 3.28Å; Q83-W85 VanDerWaalsContact C-N 3.34Å; Q83-W85 PolarHBondContact O-N 3.5Å; Q83-F86 PolarHBondContact O-N 3.47Å; Q83-K87 WeakPolarHBondContact O-CG 3.38Å; Q83-K87 PolarHBondContact O-N 2.81Å
84V98.1Very high97.6Very high70 Ų7068 Ų6842%0.42433%0.333SS..Hα-helixtrans-63.5-40.6177.9171.60000111.1S80 V82 F86 K87 N88S80-V84 VanDerWaalsContact O-CG2 3.27Å; S80-V84 WeakPolarHBondContact O-CG2 3.44Å; S80-V84 PolarHBondContact O-N 3.38Å; V82-V84 PolarHBondContact O-N 3.1Å; V84-F86 PolarHBondContact O-N 3.32Å; V84-K87 PolarHBondContact O-N 3.41Å; V84-N88 WeakPolarHBondContact O-CB 3.42Å; V84-N88 VanDerWaalsContact O-CG 3.28Å; V84-N88 PolarHBondContact O-N 3.39Å
85W98.1Very high97.4Very high25 Ų2567.3 Ų67.310%0.09533%0.332CS..Hα-helixtrans-59.1-47.7175.8-173.799.7000111.5F45 L50 L53 E54 F57 R81 V82 Q83 K87 N88 R89F45-W85 AromaticContact CD2-CD1 3.99Å; F45-W85 HydrophobicContact CE2-CB 4.48Å; F45-W85 AromaticContact CE2-CD1 3.71Å; F45-W85 HydrophobicContact CE2-CG 4.49Å; F45-W85 HydrophobicContact CZ-CB 4Å; F45-W85 AromaticContact CZ-CD1 3.85Å; F45-W85 HydrophobicContact CZ-CG 4.28Å; L50-W85 HydrophobicContact CD2-CZ2 4.34Å; L53-W85 HydrophobicContact CB-CD2 4.06Å; L53-W85 HydrophobicContact CB-CE3 3.95Å; L53-W85 HydrophobicContact CB-CH2 3.64Å; L53-W85 HydrophobicContact CB-CZ2 3.73Å; L53-W85 HydrophobicContact CB-CZ3 3.75Å; L53-W85 HydrophobicContact CD1-CD2 3.89Å; L53-W85 HydrophobicContact CD1-CE3 4.44Å; L53-W85 HydrophobicContact CD1-CG 3.93Å; L53-W85 HydrophobicContact CD2-CD2 4.47Å; L53-W85 HydrophobicContact CD2-CE3 4.26Å; L53-W85 HydrophobicContact CG-CD2 4.38Å; L53-W85 HydrophobicContact CG-CE3 4.46Å; E54-W85 HydrophobicContact CG-CH2 3.85Å; E54-W85 HydrophobicContact CG-CZ2 3.86Å; F57-W85 HydrophobicContact CB-CH2 4.42Å; F57-W85 HydrophobicContact CB-CZ3 4.29Å; F57-W85 HydrophobicContact CD2-CZ3 4.45Å; R81-W85 WeakPolarHBondContact O-CB 3.43Å; R81-W85 PolarHBondContact O-N 3.42Å; V82-W85 WeakPolarHBondContact O-CB 3.15Å; V82-W85 PolarHBondContact O-N 3.1Å; V82-W85 VanDerWaalsContact O-N 3.13Å; Q83-W85 VanDerWaalsContact C-N 3.34Å; Q83-W85 PolarHBondContact O-N 3.5Å; W85-K87 PolarHBondContact O-N 2.95Å; W85-N88 PolarHBondContact O-N 3.3Å; W85-R89 HydrophobicContact CE3-CB 4.19Å; W85-R89 HydrophobicContact CH2-CB 4.22Å; W85-R89 HydrophobicContact CH2-CG 3.93Å; W85-R89 HydrophobicContact CZ3-CB 3.98Å; W85-R89 HydrophobicContact CZ3-CG 4.04Å; W85-R89 WeakPolarHBondContact O-CB 3.31Å; W85-R89 PolarHBondContact O-N 3.39Å
86F98.6Very high97.1Very high2 Ų272.3 Ų72.31%0.00936%0.355CS..Hα-helixtrans-63.3-39.2177.6-88.9-88.7000112.4L53 L56 F57 P63 V82 Q83 V84 R89 R90L53-F86 HydrophobicContact CD2-CE2 3.93Å; L56-F86 HydrophobicContact CB-CZ 4.15Å; L56-F86 HydrophobicContact CD2-CE2 4.23Å; L56-F86 HydrophobicContact CD2-CZ 3.8Å; L56-F86 HydrophobicContact CG-CZ 3.98Å; F57-F86 HydrophobicContact CB-CE1 3.99Å; F57-F86 AromaticContact CD2-CD1 3.79Å; F57-F86 HydrophobicContact CD2-CD1 3.79Å; F57-F86 AromaticContact CD2-CE1 3.75Å; F57-F86 HydrophobicContact CD2-CE1 3.75Å; F57-F86 HydrophobicContact CE2-CD1 4.49Å; F57-F86 HydrophobicContact CG-CE1 4.37Å; P63-F86 VanDerWaalsContact CD-CD1 3.46Å; P63-F86 HydrophobicContact CG-CD1 3.65Å; P63-F86 HydrophobicContact CG-CD2 3.98Å; P63-F86 HydrophobicContact CG-CE1 3.57Å; P63-F86 HydrophobicContact CG-CE2 3.92Å; P63-F86 HydrophobicContact CG-CG 3.87Å; P63-F86 HydrophobicContact CG-CZ 3.73Å; V82-F86 HydrophobicContact CG1-CD2 3.72Å; V82-F86 HydrophobicContact CG1-CE2 3.71Å; V82-F86 WeakPolarHBondContact O-CD2 3.31Å; V82-F86 PolarHBondContact O-N 3.14Å; Q83-F86 PolarHBondContact O-N 3.47Å; V84-F86 PolarHBondContact O-N 3.32Å; F86-R89 PolarHBondContact O-N 3.44Å; F86-R90 WeakPolarHBondContact O-CG 3.3Å; F86-R90 PolarHBondContact O-N 2.74Å
87K98.3Very high96.7Very high115 Ų11570.6 Ų70.650%0.534%0.343SS..Hα-helixtrans-59-48.6173.1-74.4177.966.4174.30111.4Q83 V84 W85 R90 A91Q83-K87 WeakPolarHBondContact O-CG 3.38Å; Q83-K87 PolarHBondContact O-N 2.81Å; V84-K87 PolarHBondContact O-N 3.41Å; W85-K87 PolarHBondContact O-N 2.95Å; K87-R90 PolarHBondContact O-N 2.84Å; K87-A91 PolarHBondContact O-N 3.11Å
88N98Very high96.2Very high102 Ų10275 Ų7555%0.54536%0.362SS..Hα-helixtrans-65.6-40.2179.7-69.9-11.9000111.6V84 W85 A91 K92V84-N88 WeakPolarHBondContact O-CB 3.42Å; V84-N88 VanDerWaalsContact O-CG 3.28Å; V84-N88 PolarHBondContact O-N 3.39Å; W85-N88 PolarHBondContact O-N 3.3Å; N88-A91 WeakPolarHBondContact O-CB 3.39Å; N88-A91 PolarHBondContact O-N 3.45Å; N88-K92 PolarHBondContact O-N 2.96Å
89R97.9Very high95.6Very high83 Ų8378.6 Ų78.631%0.31337%0.373SS..Hα-helixtrans-62.3-45.6178.1-172.564.3-176.5-157.5-1.8111.7E54 F57 W85 F86 A91 K92 C93E54-R89 IonicContact OE1-CZ 3.29Å; E54-R89 IonicContact OE1-NH1 3.7Å; E54-R89 PolarHBondContact OE1-NH1 3.3Å; E54-R89 IonicContact OE1-NH2 3Å; E54-R89 PolarHBondContact OE1-NH2 3.41Å; F57-R89 HydrophobicContact CD1-CG 4.28Å; F57-R89 HydrophobicContact CD2-CB 4.3Å; F57-R89 HydrophobicContact CD2-CG 3.7Å; F57-R89 HydrophobicContact CE1-CG 4.17Å; F57-R89 HydrophobicContact CE2-CB 4.1Å; F57-R89 HydrophobicContact CE2-CG 3.58Å; F57-R89 HydrophobicContact CG-CG 4.06Å; F57-R89 HydrophobicContact CZ-CG 3.83Å; W85-R89 HydrophobicContact CE3-CB 4.19Å; W85-R89 HydrophobicContact CH2-CB 4.22Å; W85-R89 HydrophobicContact CH2-CG 3.93Å; W85-R89 HydrophobicContact CZ3-CB 3.98Å; W85-R89 HydrophobicContact CZ3-CG 4.04Å; W85-R89 WeakPolarHBondContact O-CB 3.31Å; W85-R89 PolarHBondContact O-N 3.39Å; F86-R89 PolarHBondContact O-N 3.44Å; R89-A91 VanDerWaalsContact C-N 3.35Å; R89-A91 PolarHBondContact O-N 3.5Å; R89-K92 PolarHBondContact O-N 3.21Å; R89-C93 PolarHBondContact O-N 2.99Å; R89-C93 VanDerWaalsContact O-N 3.1Å
90R97.9Very high94.7Very high45 Ų4582.9 Ų82.917%0.1739%0.393CS..Hα-helixtrans-63.4-38.7174.4-70.5-167.4-64.3-96.15.5112.5F57 R61 Y62 F86 K87 C93 R94F57-R90 HydrophobicContact CE2-CG 3.88Å; F57-R90 HydrophobicContact CZ-CG 4.39Å; R61-R90 WeakPolarHBondContact O-CD 3.27Å; R61-R90 PolarHBondContact O-NH1 2.79Å; Y62-R90 VanDerWaalsContact CE1-CD 3.42Å; Y62-R90 VanDerWaalsContact CE1-NE 3.28Å; F86-R90 WeakPolarHBondContact O-CG 3.3Å; F86-R90 PolarHBondContact O-N 2.74Å; K87-R90 PolarHBondContact O-N 2.84Å; R90-C93 PolarHBondContact O-N 3.03Å; R90-R94 PolarHBondContact O-N 3.02Å; R90-R94 VanDerWaalsContact O-N 3.1Å
91A97.8Very high93.6Very high27 Ų2787.3 Ų87.322%0.22341%0.407CS..Hα-helixtrans-61.7-46.2176.600000111.7K87 N88 R89 C93 R94 Q95K87-A91 PolarHBondContact O-N 3.11Å; N88-A91 WeakPolarHBondContact O-CB 3.39Å; N88-A91 PolarHBondContact O-N 3.45Å; R89-A91 VanDerWaalsContact C-N 3.35Å; R89-A91 PolarHBondContact O-N 3.5Å; A91-C93 VanDerWaalsContact C-N 3.33Å; A91-C93 PolarHBondContact O-N 3.17Å; A91-R94 PolarHBondContact O-N 3.49Å; A91-Q95 WeakPolarHBondContact O-CG 3.4Å; A91-Q95 PolarHBondContact O-N 3.38Å
92K96.5Very high91.9Very high130 Ų13090 Ų9057%0.56543%0.427SS*.Hα-helixtrans-60.3-41.8176.4-171.3178.4179.9-177.40112.1N88 R89 R94 Q95 Q96N88-K92 PolarHBondContact O-N 2.96Å; R89-K92 PolarHBondContact O-N 3.21Å; K92-R94 PolarHBondContact O-N 2.98Å; K92-Q95 PolarHBondContact O-N 3Å; K92-Q96 WeakPolarHBondContact O-CB 3.5Å; K92-Q96 PolarHBondContact O-N 3.46Å
93C94Very high89.9Confident54 Ų5492.7 Ų92.737%0.36545%0.454SS..Hα-helixtrans-60.2-45.8176.9-179.50000112R89 R90 A91 Q95 Q96 Q97R89-C93 PolarHBondContact O-N 2.99Å; R89-C93 VanDerWaalsContact O-N 3.1Å; R90-C93 PolarHBondContact O-N 3.03Å; A91-C93 VanDerWaalsContact C-N 3.33Å; A91-C93 PolarHBondContact O-N 3.17Å; C93-Q95 PolarHBondContact O-N 3.01Å; C93-Q96 PolarHBondContact O-N 3.29Å; C93-Q97 PolarHBondContact O-N 3.24Å
94R95.6Very high87.7Confident127 Ų12792.2 Ų92.248%0.47947%0.472SS..Hα-helixtrans-63.4-40.4175.5-68.9-167.6-58.3-87.91112.8R90 A91 K92 Q97 Q98R90-R94 PolarHBondContact O-N 3.02Å; R90-R94 VanDerWaalsContact O-N 3.1Å; A91-R94 PolarHBondContact O-N 3.49Å; K92-R94 PolarHBondContact O-N 2.98Å; R94-Q97 PolarHBondContact O-N 2.95Å; R94-Q98 WeakPolarHBondContact O-CG 3.48Å; R94-Q98 PolarHBondContact O-N 3.31Å
95Q93.8Very high85.5Confident125 Ų12596.1 Ų96.158%0.58449%0.486SS*.Hα-helixtrans-63.4-42.5176.9-71.9171.39.600111.7A91 K92 C93 Q97 Q98 Q99A91-Q95 WeakPolarHBondContact O-CG 3.4Å; A91-Q95 PolarHBondContact O-N 3.38Å; K92-Q95 PolarHBondContact O-N 3Å; C93-Q95 PolarHBondContact O-N 3.01Å; Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-Q97 PolarHBondContact O-N 3.21Å; Q95-Q98 PolarHBondContact O-N 3.43Å; Q95-Q99 WeakPolarHBondContact O-CB 3.38Å; Q95-Q99 PolarHBondContact O-N 3.37Å
96Q91.5Very high83.1Confident111 Ų111101.8 Ų101.852%0.51952%0.518SS..Hα-helixtrans-63.6-40.1177.6-170.7174.517.200111.7K92 C93 Q99 Q100K92-Q96 WeakPolarHBondContact O-CB 3.5Å; K92-Q96 PolarHBondContact O-N 3.46Å; C93-Q96 PolarHBondContact O-N 3.29Å; Q96-Q99 PolarHBondContact O-N 3.24Å; Q96-Q100 WeakPolarHBondContact O-CG 3.4Å; Q96-Q100 PolarHBondContact O-N 2.76Å
97Q88.9Confident80.7Confident108 Ų108111 Ų11151%0.50556%0.557SS.*Hα-helixtrans-66.7-41.7176.7-167.5172.725.700112.2C93 R94 Q95 Q99 Q100 Q101C93-Q97 PolarHBondContact O-N 3.24Å; R94-Q97 PolarHBondContact O-N 2.95Å; Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-Q97 PolarHBondContact O-N 3.21Å; Q97-Q99 VanDerWaalsContact C-N 3.32Å; Q97-Q99 PolarHBondContact O-N 3.02Å; Q97-Q100 PolarHBondContact O-N 2.74Å; Q97-Q101 WeakPolarHBondContact O-CG 3.47Å; Q97-Q101 PolarHBondContact O-N 3.49Å
98Q88.1Confident78.4Confident123 Ų123110.6 Ų110.658%0.57557%0.565SS**Hα-helixtrans-62.6-40.1174.3-74173.118.100111.7R94 Q95 Q100 Q101 N102R94-Q98 WeakPolarHBondContact O-CG 3.48Å; R94-Q98 PolarHBondContact O-N 3.31Å; Q95-Q98 PolarHBondContact O-N 3.43Å; Q98-Q100 VanDerWaalsContact C-N 3.32Å; Q98-Q100 PolarHBondContact O-N 3.34Å; Q98-Q101 PolarHBondContact O-N 3.37Å; Q98-N102 WeakPolarHBondContact O-CB 3.41Å; Q98-N102 PolarHBondContact O-N 2.99Å
99Q84.3Confident76.2Confident154 Ų154116.8 Ų116.872%0.7258%0.58SS**Hα-helixtrans-68.6-31.8178.7-162.3165.825.400112.5Q95 Q96 Q97 G103Q95-Q99 WeakPolarHBondContact O-CB 3.38Å; Q95-Q99 PolarHBondContact O-N 3.37Å; Q96-Q99 PolarHBondContact O-N 3.24Å; Q97-Q99 VanDerWaalsContact C-N 3.32Å; Q97-Q99 PolarHBondContact O-N 3.02Å; Q99-G103 WeakPolarHBondContact O-CA 3.4Å; Q99-G103 PolarHBondContact O-N 3.49Å
100Q80.2Confident73.7Confident135 Ų135118.3 Ų118.363%0.63160%0.601SS**Hα-helixtrans-70.2-41171.8-74.3172.51.900111.9Q96 Q97 Q98 G103Q96-Q100 WeakPolarHBondContact O-CG 3.4Å; Q96-Q100 PolarHBondContact O-N 2.76Å; Q97-Q100 PolarHBondContact O-N 2.74Å; Q98-Q100 VanDerWaalsContact C-N 3.32Å; Q98-Q100 PolarHBondContact O-N 3.34Å; Q100-G103 PolarHBondContact O-N 2.93Å
101Q74.3Confident71.3Confident148 Ų148120 Ų12069%0.69263%0.625SS**Hα-helixtrans-69-34.9177.3-71.6179.2-2.800112.7Q97 Q98Q97-Q101 WeakPolarHBondContact O-CG 3.47Å; Q97-Q101 PolarHBondContact O-N 3.49Å; Q98-Q101 PolarHBondContact O-N 3.37Å
102N62.6Low68.7Low123 Ų123128.7 Ų128.766%0.65866%0.658SS**G310 helixtrans-88.7-2.2177-123.962.1000113.6Q98 G104 Q105Q98-N102 WeakPolarHBondContact O-CB 3.41Å; Q98-N102 PolarHBondContact O-N 2.99Å; N102-G104 VanDerWaalsContact C-N 3.27Å; N102-G104 PolarHBondContact O-N 3.13Å; N102-Q105 PolarHBondContact O-N 2.99Å
103G54.6Low66.1Low55 Ų55131.5 Ų131.557%0.56767%0.67SS**G310 helixtrans-76.5-3.8-17900000115.2Q99 Q100 Q105Q99-G103 WeakPolarHBondContact O-CA 3.4Å; Q99-G103 PolarHBondContact O-N 3.49Å; Q100-G103 PolarHBondContact O-N 2.93Å; G103-Q105 VanDerWaalsContact C-N 3.31Å
104G52.4Low63.7Low75 Ų75138.6 Ų138.677%0.77369%0.694SS**G310 helixtrans-79.3-8.8170.500000114.4N102N102-G104 VanDerWaalsContact C-N 3.27Å; N102-G104 PolarHBondContact O-N 3.13Å
105Q51.7Low61Low152 Ų152137.7 Ų137.771%0.7171%0.707SS**SBendtrans-112.687.1175.9-62.4-169-11.900109.5N102 G103 K107N102-Q105 PolarHBondContact O-N 2.99Å; G103-Q105 VanDerWaalsContact C-N 3.31Å; Q105-K107 PolarHBondContact O-N 2.95Å
106N47.6Very low58.5Low144 Ų144136.9 Ų136.977%0.7772%0.716SS**  trans-61.376.1172.3-149.1-12.1000110.1V108N106-V108 PolarHBondContact O-N 2.91Å; N106-V108 VanDerWaalsContact O-N 3.12Å; N106-V108 WeakPolarHBondContact OD1-CG2 3.27Å
107K49.1Very low56.4Low194 Ų194137.4 Ų137.484%0.84373%0.729SS**  trans-79.883.4157.8-70.9-66.4-175.9-1770106.3Q105 R109Q105-K107 PolarHBondContact O-N 2.95Å; K107-R109 VanDerWaalsContact C-N 3.33Å; K107-R109 PolarHBondContact O-N 2.86Å
108V48.8Very low54Low108 Ų108137 Ų13766%0.65574%0.744SS**  trans-49.7101.7164.2179.70000107.2N106N106-V108 PolarHBondContact O-N 2.91Å; N106-V108 VanDerWaalsContact O-N 3.12Å; N106-V108 WeakPolarHBondContact OD1-CG2 3.27Å
109R53Low51.7Low231 Ų231143 Ų14387%0.87276%0.761SS**  trans-58.5122.1159.9178.8174.9159.8-176.1-5.5105.4K107 A111K107-R109 VanDerWaalsContact C-N 3.33Å; K107-R109 PolarHBondContact O-N 2.86Å; R109-A111 PolarHBondContact O-N 3.13Å
110P45.3Very low49.3Very low115 Ų115144.3 Ų144.375%0.74777%0.767SS**  trans-64.9110.4-175.325.1-30.8000107.9K112P110-K112 PolarHBondContact O-N 2.94Å
111A47.9Very low47.4Very low81 Ų81142.5 Ų142.567%0.66978%0.776SS**  trans-64.4106.2165.200000106.3R109 K113R109-A111 PolarHBondContact O-N 3.13Å; A111-K113 PolarHBondContact O-N 2.86Å
112K43.7Very low45.6Very low210 Ų210141.3 Ų141.391%0.91378%0.784SS**  trans-65.581.4167.3-135.6176-173.4174.40106.8P110 K114P110-K112 PolarHBondContact O-N 2.94Å; K112-K114 PolarHBondContact O-N 3.13Å; K112-K114 VanDerWaalsContact O-N 3.11Å
113K41.7Very low44.5Very low189 Ų189141.1 Ų141.182%0.82279%0.792SS**  trans-66.5103.7166.2-71.1-173.3178.7-177.60106A111 S115A111-K113 PolarHBondContact O-N 2.86Å; K113-S115 VanDerWaalsContact C-N 3.32Å; K113-S115 PolarHBondContact O-N 3.17Å; K113-S115 VanDerWaalsContact O-N 3.1Å
114K43.8Very low43.6Very low202 Ų202148.1 Ų148.188%0.87881%0.81SS**  trans-67.5100.6156.4-97.8-177.8173.6-175.40105.8K112 S116K112-K114 PolarHBondContact O-N 3.13Å; K112-K114 VanDerWaalsContact O-N 3.11Å; K114-S116 PolarHBondContact O-N 3.22Å
115S38.4Very low43Very low108 Ų108150.5 Ų150.576%0.75582%0.815SS**  trans-66.9111.2162.253.70000107.7K113K113-S115 VanDerWaalsContact C-N 3.32Å; K113-S115 PolarHBondContact O-N 3.17Å; K113-S115 VanDerWaalsContact O-N 3.1Å
116S41.1Very low42.1Very low108 Ų108146.9 Ų146.976%0.75582%0.819SS**PPolyproline II helixtrans-73.5128.6158.5-58.90000107.5K114K114-S116 PolarHBondContact O-N 3.22Å
117P46.3Very low41.5Very low123 Ų123145 Ų14580%0.79982%0.822SS**PPolyproline II helixtrans-76.8127.7166.929-26.8000108.8
118A40.3Very low40.9Very low100 Ų100142.2 Ų142.283%0.82683%0.828SS**PPolyproline II helixtrans-62.3133.5163.300000108.6
119R39Very low40.3Very low248 Ų248140.7 Ų140.794%0.93683%0.834SS**  trans-104.2117.4167.6-169.1175.3179.3-172.6-1107.6
120E33.9Very low39.6Very low181 Ų181138.3 Ų138.385%0.84683%0.833SS**  trans-63.5147.9-177-63.9-17411900112.6
121A40.3Very low39.2Very low97 Ų97142.6 Ų142.680%0.80284%0.84SS**  trans-75.4138.9165.500000109.7
122S37Very low39Very low124 Ų124144.6 Ų144.687%0.86784%0.844SS**  trans-148.3127.1157.4-820000109.1
123S39.1Very low39.7Very low119 Ų119140.2 Ų140.283%0.83284%0.837SS**  trans-80.2143.1176.8-56.90000110.8
124E35.4Very low40.4Very low201 Ų201136.9 Ų136.994%0.93984%0.835SS**  trans-160.4146.5132.8-128.2177.9104.200111.6
125S39.1Very low40Very low126 Ų126132.6 Ų132.688%0.88183%0.83SS**  trans-81.3159.7-169-77.90000114.5
126G33Very low40Very low76 Ų76132.7 Ų132.778%0.78483%0.831SS**  trans178.772.4166.400000116.7
127A36.5Very low39.9Very low103 Ų103133.5 Ų133.585%0.85183%0.832SS**  trans39.7128.6146.600000124.5
128S36Very low39.5Very low136 Ų136132.2 Ų132.295%0.95183%0.825SS**  trans93.5125.4133-144.20000119.9
129G34.9Very low39.7Very low76 Ų76133.9 Ų133.978%0.78483%0.825SS**  trans150.175.7169.200000114.5
130Q39.2Very low39.9Very low182 Ų182127.6 Ų127.685%0.8582%0.816SS**  trans-65.7139.4177.9-165.5151.813.400112.5
131F36.5Very low39.9Very low204 Ų204125 Ų12590%0.89581%0.813SS**  trans175.1121.7133.4-105.9-81.5000111.8
132T43.1Very low40Very low124 Ų124127.7 Ų127.776%0.76181%0.812SS**  trans-135165.8159.152.60000105.7
133P59Low40Very low118 Ų118127.1 Ų127.177%0.76681%0.808SS**  cis-131.9-151.8-1.138.6-15.3000109.6
134P55.9Low40.2Very low119 Ų119127.7 Ų127.777%0.77381%0.807SS**  cis-136.5177.9-0.838.8-16.6000117.9
135S36.7Very low40.5Very low112 Ų112123.9 Ų123.978%0.78380%0.802SS**  trans-49.3145-179.9-520000117.9
136S38.2Very low40.6Very low110 Ų110124.5 Ų124.577%0.76980%0.801SS**  trans-168.6117.4133.710.90000112.1
137T38.4Very low41.2Very low125 Ų125125.3 Ų125.377%0.76780%0.8SS**  47.6103.9123.9-48.10000119.9
138S38.9Very low41.8Very low95 Ų95125.7 Ų125.766%0.66479%0.794SS**  trans68.2133132.473.10000122.6
139V43.7Very low42.4Very low135 Ų135125.9 Ų125.982%0.81879%0.789SS**  trans73.6133.7163.9-55.40000118
140P43.9Very low42.6Very low117 Ų117127.2 Ų127.276%0.7679%0.786SS**  -140.2149.39317.46.3000116.8
141T34Very low43.4Very low127 Ų127126.1 Ų126.178%0.77979%0.785SS**  trans71.3109.3130.9-45.50000120.8
142I41.8Very low43.8Very low153 Ų153126.9 Ų126.979%0.78578%0.782SS**  trans-64.9131.1160.4-63.6162.7000109.5
143S37.3Very low43.6Very low112 Ų112126.3 Ų126.378%0.78378%0.783SS**  trans-150.2110.2145.2-78.70000109.7
144T43Very low42.8Very low131 Ų131125.6 Ų125.680%0.80478%0.778SS**  trans-48.9133.1169.916.20000113.7
145S40.8Very low42.3Very low120 Ų120124.3 Ų124.384%0.83978%0.777SS**  trans-164.4104.1135.543.90000110.7
146T42.7Very low42.5Very low140 Ų140125 Ų12586%0.85978%0.782SS**  trans-69.1138.6161.535.50000110.9
147A45.5Very low42.8Very low93 Ų93127.5 Ų127.577%0.76979%0.786SS**  trans150169.7134.800000111.2
148P49Very low43Very low111 Ų111125.9 Ų125.972%0.72178%0.779SS**  -117.5147-96.323.7-3.2000113.1S150P148-S150 PolarHBondContact O-N 3.28Å
149V47.2Very low43.5Very low139 Ų139127 Ų12784%0.84278%0.784SS**  trans-66.2106.1169-80.40000110I151V149-I151 PolarHBondContact O-N 2.94Å; V149-I151 VanDerWaalsContact O-N 3.17Å
150S40.7Very low43.5Very low104 Ų104128.6 Ų128.673%0.72778%0.784SS**  trans-72102175.8-66.20000109.9P148 W152P148-S150 PolarHBondContact O-N 3.28Å; S150-W152 VanDerWaalsContact C-N 3.25Å; S150-W152 PolarHBondContact O-N 2.76Å
151I55.4Low43.2Very low159 Ų159127.7 Ų127.782%0.81579%0.787SS**  trans-85.568.2166.9-53.6174.5000107.9V149V149-I151 PolarHBondContact O-N 2.94Å; V149-I151 VanDerWaalsContact O-N 3.17Å
152W44.7Very low43.6Very low221 Ų221129.1 Ų129.184%0.83779%0.79SS**  trans-173.3107.1157.4-163.7-92.8000108.5S150S150-W152 VanDerWaalsContact C-N 3.25Å; S150-W152 PolarHBondContact O-N 2.76Å
153S37.8Very low44.2Very low112 Ų112127.5 Ų127.578%0.78379%0.79SS**  trans-132.6115.4163-83.40000107.4A155S153-A155 PolarHBondContact O-N 3.47Å
154P43.7Very low44.5Very low103 Ų103130 Ų13067%0.66979%0.793SS**  trans-81.3108.316831-25.1000107.3S156P154-S156 PolarHBondContact O-N 2.94Å
155A45.3Very low44.4Very low91 Ų91128.8 Ų128.875%0.75279%0.79SS**  trans-65.7125.4171.400000109.5S153 I157S153-A155 PolarHBondContact O-N 3.47Å; A155-I157 PolarHBondContact O-N 3.03Å
156S39.6Very low44.4Very low126 Ų126129.1 Ų129.188%0.88179%0.787SS**  trans-60.9120.7171.6-66.10000110.7P154P154-S156 PolarHBondContact O-N 2.94Å
157I45.6Very low44.6Very low164 Ų164127.7 Ų127.784%0.84178%0.783SS**  trans-96.4114.9171.1-52.7173.2000106.9A155A155-I157 PolarHBondContact O-N 3.03Å
158S42.4Very low44.2Very low90 Ų90128.4 Ų128.463%0.62978%0.782SS**PPolyproline II helixtrans-78.1141.6169.8-164.50000109.7
159P48.6Very low43.9Very low118 Ų118127.6 Ų127.677%0.76678%0.78SS**PPolyproline II helixtrans-83.8120.2-179.332.8-28.7000109.9
160M43.7Very low43.8Very low169 Ų169126.6 Ų126.683%0.83378%0.777SS**PPolyproline II helixtrans-94.2134.9165.5-73.2-71.8148.700108.6
161A39.3Very low44.1Very low99 Ų99129.8 Ų129.882%0.81878%0.783SS**PPolyproline II helixtrans-73.4137179.400000111.8
162D42.1Very low43.4Very low156 Ų156130 Ų13083%0.83478%0.78SS**PPolyproline II helixtrans-83.7142.9167.8-78.2-49000111.2
163P54.5Low43Very low120 Ų120128.6 Ų128.678%0.77978%0.775SS**PPolyproline II helixtrans-87.1151.516033.4-28.5000112.2
164L42.8Very low42.8Very low163 Ų163128.2 Ų128.285%0.85377%0.772SS**PPolyproline II helixtrans-46.7155.6-176.3-88.764.2000117.5
165S42.2Very low42.9Very low106 Ų106131.8 Ų131.874%0.74177%0.773SS**  trans103.1106146.8-510000116.8
166T40.3Very low43.3Very low127 Ų127133 Ų13378%0.77977%0.774SS**  177.3116102.6-660000108.5
167S45.6Very low43.4Very low111 Ų111135.7 Ų135.778%0.77678%0.775SS**  trans-67.5132.9173.2-176.60000110.1
168S38.5Very low43.1Very low107 Ų107133.9 Ų133.975%0.74877%0.771SS**  trans-143.276166.6-57.70000108.9
169S43.2Very low42.7Very low95 Ų95138 Ų13866%0.66477%0.774SS**  trans-70.3118.9167.8-179.50000109.1
170C45.1Very low42.4Very low117 Ų117138.7 Ų138.779%0.79178%0.776SS**  trans-127.6116.5166.4590000110.9
171M45.9Very low42Very low171 Ų171137 Ų13784%0.84277%0.766SS**  trans85.371.2166.2-48.7-129.97800117.3
172Q41.2Very low41.7Very low164 Ų164137 Ų13777%0.76677%0.766SS**  trans-58.2121136.6-73.1155.1-9.900108.8
173R36.7Very low41.5Very low192 Ų192135.5 Ų135.573%0.72577%0.769SS**  trans-100.793.1167.3-138.1179.4-159.7-98.3-0.2107.4Y175R173-Y175 PolarHBondContact NH1-OH 2.83Å
174S32.6Very low40.4Very low104 Ų104133 Ų13373%0.72776%0.764SS**PPolyproline II helixtrans-75.3125.4170.2-55.80000109
175Y45Very low40.1Very low177 Ų177136.6 Ų136.669%0.69477%0.768SS**PPolyproline II helixtrans-100127.9158.9-69.9-77.6000107.9R173R173-Y175 PolarHBondContact NH1-OH 2.83Å
176P54.9Low39.8Very low117 Ų117136 Ų13676%0.7676%0.764SS**PPolyproline II helixtrans-72.9131.9171.428.5-30.8000110.2
177M41.9Very low39.6Very low183 Ų183137.8 Ų137.890%0.90176%0.764SS**PPolyproline II helixtrans-76.5118175.5-162.360.8173.900109.1
178T39.5Very low39.1Very low125 Ų125135.4 Ų135.477%0.76776%0.756SS**  trans-95.2111.3171.5-51.50000109.3
179Y32.8Very low39Very low176 Ų176140.8 Ų140.869%0.6976%0.762SS**  trans-83.7125.5176.3-173.7-111000109.1Q181Y179-Q181 HydrophobicContact CD1-CG 3.79Å; Y179-Q181 HydrophobicContact CE1-CG 3.28Å; Y179-Q181 PolarHBondContact OH-OE1 3.41Å
180T43.1Very low38.6Very low133 Ų133140 Ų14082%0.81677%0.768SS**  trans-121.8117.3166.9-36.10000108.4
181Q35.7Very low38.1Very low133 Ų133138.2 Ų138.262%0.62177%0.77SS**  trans-77.6140.2179.9-66.6-95.962.400111.1Y179Y179-Q181 HydrophobicContact CD1-CG 3.79Å; Y179-Q181 HydrophobicContact CE1-CG 3.28Å; Y179-Q181 PolarHBondContact OH-OE1 3.41Å
182A31.9Very low38.2Very low99 Ų99136.1 Ų136.182%0.81877%0.772SS**  trans-150.6115.4143.900000109.9
183S37.4Very low38Very low126 Ų126134.5 Ų134.588%0.88177%0.774SS**  trans-52.7153.4160.9-59.10000110.8
184G33Very low38.2Very low67 Ų67130.1 Ų130.169%0.69177%0.772SS**  cis166.5146.12.500000107.5
185Y34.9Very low38.9Very low239 Ų239135.5 Ų135.594%0.93778%0.778SS**  trans-166.1153.3143.8-133.8-101.5000109.8
186S36.9Very low38.6Very low94 Ų94135.8 Ų135.866%0.65778%0.784SS**  trans-94.4169.8-154.1-176.10000114.7
187Q36.4Very low37.7Very low164 Ų164134 Ų13477%0.76679%0.786SS**  trans77.3133.7156.7-71.2-103.128.600117.6
188G34Very low37.5Very low60 Ų60128 Ų12862%0.61977%0.771SS**  cis179.9162.56.600000111.5
189Y36.5Very low37.9Very low220 Ų220131 Ų13186%0.86378%0.779SS**  trans45.5118.3158.1-67.2-86.8000122.2
190G35Very low38.5Very low78 Ų78129.4 Ų129.480%0.80478%0.782SS**  110.6128.6110.700000117.7
191G34.7Very low38.8Very low80 Ų80129 Ų12983%0.82578%0.784SS**  trans104.8103.5139.100000117.1
192S47.7Very low39.3Very low127 Ų127125.8 Ų125.889%0.88879%0.786SS**  trans-37.9137.7160.2-46.80000114.8
193T37.9Very low40Very low131 Ų131126.1 Ų126.180%0.80478%0.782SS**  trans-157.9123.9138.1-136.90000114.4
194S40.6Very low40.3Very low99 Ų99130.1 Ų130.169%0.69278%0.779SS**  trans25.4117142.757.30000122.5F196S194-F196 PolarHBondContact O-N 2.81Å
195Y46.9Very low40.9Very low217 Ų217135.6 Ų135.685%0.85179%0.792SS**  trans-33.9107.6142-169.6-93.5000115.6
196F37.8Very low41.5Very low184 Ų184130 Ų13081%0.80778%0.783SS**  trans-178.298.3133.9-129.4-96.9000109.7S194 G198S194-F196 PolarHBondContact O-N 2.81Å; F196-G198 PolarHBondContact O-N 3.36Å
197G36.7Very low42.2Very low79 Ų79131 Ų13181%0.81479%0.787SS**  trans-89.585.1173.100000110.8
198G38.7Very low42.7Very low57 Ų57131.7 Ų131.759%0.58879%0.793SS**  trans-88.1111.7157.100000108.1F196 D200F196-G198 PolarHBondContact O-N 3.36Å; G198-D200 PolarHBondContact O-N 3.31Å
199M46.3Very low43Very low188 Ų188135.7 Ų135.793%0.92680%0.795SS**  trans-87.492.4168.5-105.987.988.600108.3
200D46.3Very low43.2Very low142 Ų142133.8 Ų133.876%0.75979%0.793SS**  trans-78.5144.8152.657.1102.4000110.2G198G198-D200 PolarHBondContact O-N 3.31Å
201C49.9Very low43.4Very low126 Ų126136.6 Ų136.685%0.85179%0.785SS**  trans-87.5130.9-177.148.80000110.7
202G46.5Very low43.6Very low64 Ų64141.2 Ų141.266%0.6679%0.791SS**  trans119.7129.1146.600000115.9
203S44.9Very low43.2Very low106 Ų106140.7 Ų140.774%0.74179%0.787SS**  trans114.1140.4154.1-47.80000115.2
204Y44Very low43.1Very low210 Ų210137.9 Ų137.982%0.82478%0.784SS**  trans91.869.8169-56.6-81000117.7
205L46.6Very low43.7Very low183 Ų183139.6 Ų139.696%0.95879%0.792SS**PPolyproline II helixtrans-84.2116.9133.2-94.5104.7000108.3
206T46.7Very low43.3Very low122 Ų122132.6 Ų132.675%0.74879%0.786SS**PPolyproline II helixtrans-80.8162.5175.2-6.40000110.9
207P51.9Low43.5Very low114 Ų114131 Ų13174%0.7479%0.792SS**PPolyproline II helixtrans-93.4152.2-16235.1-28.2000113
208M46.2Very low44.1Very low179 Ų179132.7 Ų132.788%0.88279%0.786SS**  trans-119.2124.2166.7-95.1-70.2169.900111
209H40.3Very low44.3Very low143 Ų143137.8 Ų137.866%0.66280%0.8SS**  trans-99.8126.8-176161.8-105.1000108.8
210H41.2Very low44.3Very low180 Ų180134 Ų13483%0.83379%0.792SS**  trans-137.1132.5162.6-77.4148.2000112.3
211Q40.3Very low45Very low137 Ų137132.4 Ų132.464%0.6479%0.789SS**  trans-65.7148.1-178.3-69.4-94.724.700113.9
212L37.8Very low44.3Very low178 Ų178134.7 Ų134.793%0.93279%0.789SS**  trans-164.7125.9139.8-100.3142.5000110.5
213S39.6Very low44Very low115 Ų115136.8 Ų136.880%0.80479%0.794SS**  trans-94.6144.9175.8-54.50000111.5
214G36.2Very low44.2Very low72 Ų72137.7 Ų137.774%0.74280%0.795SS**  trans178.8131.8165.500000111.5
215P52.1Low44Very low135 Ų135135.9 Ų135.988%0.87780%0.799SS**  trans-101.6149.8-15437.4-32.8000115.9
216G39Very low43.6Very low70 Ų70131.3 Ų131.372%0.72279%0.788SS**  trans79.6105.6136.100000118.7
217T42.2Very low43.7Very low150 Ų150132 Ų13292%0.9279%0.792SS**  -166.2155.1111.8-0.50000110.7
218T49.3Very low43.2Very low115 Ų115133.1 Ų133.171%0.70680%0.797SS**  trans-91.7164.2-156.5510000114
219L42.3Very low43.1Very low165 Ų165129.9 Ų129.986%0.86479%0.792SS**  trans105.798.3152.7-51178.5000117.3
220S46.4Very low43.2Very low109 Ų109132.1 Ų132.176%0.76280%0.802SS**  trans-75.1-172.2145.9-40.70000109.8
221P61.7Low43.2Very low107 Ų107131.2 Ų131.270%0.69580%0.802SS**  cis-140.4-162.3-2.926.9-0.4000113.9
222M35.4Very low43Very low174 Ų174128.7 Ų128.786%0.85780%0.8SS**  trans96.7130.6157.7-50.7173.8112.100113.5
223S40.1Very low42.9Very low109 Ų109129.3 Ų129.376%0.76280%0.798SS**  cis-154.4155.516.8-90.60000111.3
224T49.7Very low42.9Very low125 Ų125129.3 Ų129.377%0.76780%0.798SS**  trans-48.8145.2164.350.80000113.4
225N39.3Very low44Very low171 Ų171132 Ų13291%0.91480%0.802SS**  trans-148.7116.9137.3-101.9-12.3000111.1
226A38.3Very low43.2Very low87 Ų87130.7 Ų130.772%0.71980%0.803SS**  trans-91157.9171.600000110.1
227V47.4Very low43.4Very low136 Ų136132.7 Ų132.782%0.82481%0.806SS**  trans-46.1144.7174.2-66.20000115.1
228T43.4Very low43.1Very low138 Ų138133.3 Ų133.385%0.84780%0.803SS**  trans-158.5124.6147.3-12.30000112.3
229S43.8Very low42.5Very low111 Ų111132.7 Ų132.778%0.77680%0.804SS**  trans-76.7142.9169.445.80000112.3
230H41.3Very low42.4Very low191 Ų191131.5 Ų131.588%0.88480%0.803SS**  trans-162.5165.3142.362.9-88.8000112.6
231L42Very low42.2Very low160 Ų160134.6 Ų134.684%0.83881%0.806SS**  trans-97.6165.6-152-16471.8000112.5
232S35.7Very low41.1Very low85 Ų85134 Ų13459%0.59480%0.804SS**  trans82.1107.3144161.20000119.8
233Q35.3Very low41.2Very low190 Ų190135.9 Ų135.989%0.88880%0.803SS**  -178.4132114-100.3152.297.300112.6
234S39.3Very low41.1Very low115 Ų115134.5 Ų134.580%0.80481%0.806SS**  trans-115.9-179.5161.7-68.70000107.4
235P59.6Low40.5Very low128 Ų128133.5 Ų133.583%0.83181%0.81SS**  cis-127.6171.1-4431.3-13.4000111.2
236A35.9Very low40.8Very low108 Ų108131.7 Ų131.789%0.89381%0.811SS**  trans-145.5125.4159.700000111.6
237S42.5Very low40.7Very low113 Ų113131.2 Ų131.279%0.7981%0.814SS**  trans-102.3137.6-178.642.10000111.1
238L36.4Very low40.3Very low163 Ų163133.5 Ų133.585%0.85382%0.821SS**  trans-146.3102.8163.5-79.2166.1000106.6
239S36.8Very low40Very low102 Ų102130.6 Ų130.671%0.71382%0.819SS**  81.5111.780.971.20000114.2
240T40.6Very low39.5Very low139 Ų139135.6 Ų135.685%0.85383%0.827SS**  trans-48.5142163.414.70000114.5
241Q40.7Very low39.5Very low175 Ų175132.8 Ų132.882%0.81882%0.818SS**  trans-144.9126.7146.8-85.2-167.544.200110.5
242S39Very low39.2Very low94 Ų94129.5 Ų129.566%0.65781%0.809SS**  trans-82.8153.3167.971.10000110.7
243Y38.3Very low39.1Very low214 Ų214131.6 Ų131.684%0.83982%0.818SS**  trans-160.9139.2132.7-72.7-64.1000108.8
244G38.3Very low39.5Very low80 Ų80126.9 Ų126.983%0.82581%0.812SS**  trans-93.7-179.5-171.800000115.4
245A36.7Very low39.5Very low103 Ų103129.2 Ų129.285%0.85182%0.815SS**  trans-168.8132.2154.800000110.7
246S45.5Very low38.2Very low134 Ų134129.1 Ų129.194%0.93782%0.816SS**  trans-71.7144.4170.7-49.60000111.1
247G35.7Very low38.6Very low76 Ų76131.9 Ų131.978%0.78482%0.815SS**  trans-170.3121.3173.800000114
248L40Very low38.3Very low185 Ų185132.7 Ų132.797%0.96981%0.81SS**  trans-41.3151.2179.8-59.4164000116.8
249G37.5Very low38.5Very low77 Ų77136 Ų13679%0.79481%0.813SS**  trans-94.4-178-166.800000118.3
250F33.4Very low38.7Very low215 Ų215138.3 Ų138.394%0.94381%0.81SS**  trans-167.2158.3143.9-151.6-103000108.8
251N39.8Very low39.2Very low132 Ų132138.5 Ų138.571%0.70681%0.806SS**  trans-83.3159.7-164.2-168.22.4000113.9
252S35.7Very low39Very low92 Ų92138 Ų13864%0.64380%0.804SS**  trans80.7128158.6-57.70000115.2
253T34.7Very low39.1Very low129 Ų129137.2 Ų137.279%0.79180%0.803SS**  cis-167.7150.530.5370000109.4
254A42.6Very low39.3Very low91 Ų91130.1 Ų130.175%0.75279%0.788SS**  trans51126.6146.800000118.4
255D39.6Very low39.4Very low164 Ų164131.2 Ų131.288%0.87778%0.783SS**  cis-155.8122.822.2-97.7-75.7000104.6
256C33.1Very low39.8Very low125 Ų125136.9 Ų136.985%0.84578%0.783SS**  trans-121.5118.8168-168.10000107.4D258C256-D258 PolarHBondContact O-N 3.39Å
257L43.7Very low39.4Very low166 Ų166139.5 Ų139.587%0.86978%0.777SS**  trans-53.2102.1172-79.2157.9000109.3Y259L257-Y259 PolarHBondContact O-N 3.36Å
258D35.6Very low40.1Very low131 Ų131141.9 Ų141.970%0.70177%0.771SS**  trans-59.594.4168-176.4-134.9000108.4C256 K260C256-D258 PolarHBondContact O-N 3.39Å; D258-K260 PolarHBondContact O-N 3.38Å; D258-K260 WeakPolarHBondContact OD1-CB 3.37Å; D258-K260 WeakPolarHBondContact OD1-CD 3.23Å
259Y41.8Very low39.8Very low233 Ų233139.4 Ų139.491%0.91476%0.759SS**  trans-73.771.3163.1-129-88.1000107.4L257 D261L257-Y259 PolarHBondContact O-N 3.36Å; Y259-D261 PolarHBondContact O-N 3.23Å
260K40.6Very low40.1Very low149 Ų149144.7 Ų144.765%0.64876%0.761SS**  trans-66.7115.1171.3-166.7153.3170.71700107.7D258 Q262D258-K260 PolarHBondContact O-N 3.38Å; D258-K260 WeakPolarHBondContact OD1-CB 3.37Å; D258-K260 WeakPolarHBondContact OD1-CD 3.23Å; K260-Q262 PolarHBondContact O-N 3.04Å
261D50.6Low40.1Very low143 Ų143140 Ų14077%0.76575%0.746SS**  trans-41.495.3154.8-170.2-93.7000108.7Y259 A263Y259-D261 PolarHBondContact O-N 3.23Å; D261-A263 VanDerWaalsContact C-N 3.33Å
262Q36.8Very low40.3Very low166 Ų166138.3 Ų138.378%0.77675%0.75SS**  trans-100.377.9167-159168.788.700104.1K260 A264K260-Q262 PolarHBondContact O-N 3.04Å; Q262-A264 PolarHBondContact O-N 2.8Å
263A41.9Very low40.3Very low77 Ų77139.9 Ų139.964%0.63675%0.751SS**  trans-44.197.9147.400000106.2D261 S265D261-A263 VanDerWaalsContact C-N 3.33Å; A263-S265 PolarHBondContact O-N 2.89Å
264A42.6Very low40.8Very low64 Ų64139.6 Ų139.653%0.52975%0.753SS.*  trans-67.178.7176.200000106.4Q262 W266Q262-A264 PolarHBondContact O-N 2.8Å; A264-W266 PolarHBondContact O-N 2.86Å
265S40Very low40.8Very low103 Ų103142.2 Ų142.272%0.7275%0.753SS**  trans-61.288161.1-173.80000104.7A263 K267A263-S265 PolarHBondContact O-N 2.89Å; S265-K267 PolarHBondContact O-N 2.92Å
266W44.8Very low41Very low222 Ų222140.3 Ų140.384%0.84174%0.744SS**  trans-6381.4162.6-63.694.6000105.7A264 L268A264-W266 PolarHBondContact O-N 2.86Å; W266-L268 PolarHBondContact O-N 2.79Å
267K37.8Very low41.2Very low189 Ų189144.3 Ų144.382%0.82274%0.742SS**  trans-56.4103.7175.3-161.3170.5176.5173.20105.1S265 N269S265-K267 PolarHBondContact O-N 2.92Å; K267-N269 PolarHBondContact O-N 2.87Å
268L49.2Very low41.2Very low126 Ų126144.1 Ų144.166%0.6673%0.734SS**  trans-63.392175.8-68179000107.1W266 F270W266-L268 PolarHBondContact O-N 2.79Å; L268-F270 HydrophobicContact CB-CD2 4.41Å; L268-F270 HydrophobicContact CB-CE2 4.3Å; L268-F270 PolarHBondContact O-N 2.87Å; L268-F270 VanDerWaalsContact O-N 3.08Å
269N35.3Very low41.9Very low134 Ų134143.9 Ų143.972%0.71773%0.733SS**  trans-75.795.5170.6-160.8-14.2000106.7K267 N271K267-N269 PolarHBondContact O-N 2.87Å; N269-N271 PolarHBondContact O-N 3.25Å
270F43.8Very low41.7Very low187 Ų187139.4 Ų139.482%0.8272%0.721SS**  trans-70.285163.2-80.5-87.7000107.5L268L268-F270 HydrophobicContact CB-CD2 4.41Å; L268-F270 HydrophobicContact CB-CE2 4.3Å; L268-F270 PolarHBondContact O-N 2.87Å; L268-F270 VanDerWaalsContact O-N 3.08Å
271N31.7Very low42.1Very low118 Ų118137.5 Ų137.563%0.63172%0.721SS**  trans-92.3101.8161.3-128.6-91.6000107.6N269 D273N269-N271 PolarHBondContact O-N 3.25Å; N271-D273 VanDerWaalsContact C-N 3.33Å; N271-D273 PolarHBondContact O-N 2.63Å; N271-D273 VanDerWaalsContact O-N 3.17Å
272A45.1Very low41.6Very low96 Ų96134.3 Ų134.379%0.79371%0.71SS**  trans-76.586170.300000108
273D35.7Very low41.8Very low124 Ų124131.4 Ų131.466%0.66371%0.708SS**  trans-128.498.9164.6-104.8-65.3000109.9N271 L275N271-D273 VanDerWaalsContact C-N 3.33Å; N271-D273 PolarHBondContact O-N 2.63Å; N271-D273 VanDerWaalsContact O-N 3.17Å; D273-L275 PolarHBondContact O-N 3.26Å
274C45.5Very low41.7Very low124 Ų124139.3 Ų139.384%0.83872%0.722SS**  trans-77.598.9164.8166.80000107.5
275L42.4Very low42Very low145 Ų145144.5 Ų144.576%0.75973%0.732SS**  trans-140.1105.2165.1-79.4176.4000111.8D273D273-L275 PolarHBondContact O-N 3.26Å
276D43.2Very low42.1Very low125 Ų125148.3 Ų148.367%0.66874%0.737SS**  42.489.3125.4-149.4-106.7000116.9K278D276-K278 WeakPolarHBondContact OD1-CB 3.42Å
277Y37.2Very low42Very low209 Ų209145.2 Ų145.282%0.8273%0.731SS**  trans-107.280.6153.3-142.7-86.3000109.5
278K44.1Very low42.3Very low162 Ų162142.2 Ų142.270%0.70473%0.729SS**  trans-63.2127.3166.3-179.2168.8155.1-175.50109.8D276D276-K278 WeakPolarHBondContact OD1-CB 3.42Å
279D49.2Very low42.3Very low125 Ų125147.4 Ų147.467%0.66876%0.756SS**  trans5393.5144.9-136-107.1000118.6T281D279-T281 WeakPolarHBondContact OD1-CG2 3.45Å
280Q38.8Very low42.7Very low140 Ų140148.1 Ų148.165%0.65476%0.758SS**  trans-122.672.3155.3-161.885.267.300108.6S282Q280-S282 VanDerWaalsContact C-N 3.34Å; Q280-S282 PolarHBondContact NE2-OG 3.43Å; Q280-S282 PolarHBondContact O-N 3.12Å; Q280-S282 VanDerWaalsContact O-N 3.12Å
281T48.7Very low42.6Very low108 Ų108146.1 Ų146.166%0.66376%0.755SS**  trans-66.499.1154.8131.40000106.8D279D279-T281 WeakPolarHBondContact OD1-CG2 3.45Å
282S40.4Very low43.3Very low76 Ų76147.6 Ų147.653%0.53176%0.761SS.*  trans-13081.2168.6-63.80000108.6Q280Q280-S282 VanDerWaalsContact C-N 3.34Å; Q280-S282 PolarHBondContact NE2-OG 3.43Å; Q280-S282 PolarHBondContact O-N 3.12Å; Q280-S282 VanDerWaalsContact O-N 3.12Å
283S40.4Very low43.1Very low105 Ų105150.6 Ų150.673%0.73476%0.76SS**  trans28.393.5143.4-174.20000117K285S283-K285 VanDerWaalsContact C-N 3.29Å; S283-K285 PolarHBondContact O-N 3.39Å
284W40.7Very low43.6Very low243 Ų243152.3 Ų152.392%0.9277%0.766SS**  trans-68.686.3159.3-64.594000109.3F286W284-F286 PolarHBondContact O-N 3.34Å
285K47.6Very low43.5Very low173 Ų173154.2 Ų154.275%0.75276%0.761SS**  trans-82.4100.5170.7-164.8176.5177.4179.70108.2S283 Q287S283-K285 VanDerWaalsContact C-N 3.29Å; S283-K285 PolarHBondContact O-N 3.39Å; K285-Q287 PolarHBondContact O-N 3.35Å
286F43.1Very low43.6Very low184 Ų184154.9 Ų154.981%0.80776%0.761SS**  trans-68.4117.2169-106.7-96000108.9W284W284-F286 PolarHBondContact O-N 3.34Å
287Q42.6Very low43.6Very low156 Ų156157.2 Ų157.273%0.72977%0.768SS**  trans-101.4111165.9-165.1100.8700106.5K285K285-Q287 PolarHBondContact O-N 3.35Å
288V44.2Very low44.1Very low127 Ų127152.8 Ų152.877%0.7776%0.764SS**  trans-87.3125.1170.7175.80000107
289L49.8Very low44.1Very low235 Ų235152 Ų152100%1.2377%0.769SS**  trans-97.50161.6-90.2135000108.2

Retrieved 289 of 289 residues in 287.9 ms (Link to these results)